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Pyrrolidines
Description:
Compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
Ancestors:
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2-(1-Pyrrolidinyl)benzoic AcidCas Number: 78648-27-8 Compound CID: 12707331Formula: C11H13NO2 Molecular Weight: 191.23IUPAC Name: 2-pyrrolidin-1-ylbenzoic acidSMILES: C1CCN(C1)C2=CC=CC=C2C(=O)OInChIKey: SSALRORMOVCZTK-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
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2-(1-Boc-2-pyrrolidinyl)acetic AcidCas Number: 194154-91-1 Compound CID: 4018357Formula: C11H19NO4 Molecular Weight: 229.28IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acidSMILES: CC(C)(C)OC(=O)N1CCCC1CC(=O)OInChIKey: GDWKIRLZWQQMIE-UHFFFAOYSA-NInChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
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1,3-dimethylpyrrolidine-3-carboxylic acidCas Number: 912771-28-9 Compound CID: 43811465Formula: C7H13NO2 Molecular Weight: 143.19IUPAC Name: 1,3-dimethylpyrrolidine-3-carboxylic acidSMILES: CC1(CCN(C1)C)C(=O)OInChIKey: NQIXAABODWHHFU-UHFFFAOYSA-NInChI: InChI=1S/C7H13NO2/c1-7(6(9)10)3-4-8(2)5-7/h3-5H2,1-2H3,(H,9,10)
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1,4-Dimethylpyrrolidin-2-oneCas Number: 2555-04-6 Compound CID: 14417041Formula: C6H11NO Molecular Weight: 113.16IUPAC Name: 1,4-dimethylpyrrolidin-2-oneSMILES: CC1CC(=O)N(C1)CInChIKey: AXSSJSFXWMOTEN-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO/c1-5-3-6(8)7(2)4-5/h5H,3-4H2,1-2H3
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1-methyl-2-oxopyrrolidine-3-carboxylic acidFormula: C6H9NO3 Molecular Weight: 143.14IUPAC Name: 1-methyl-2-oxopyrrolidine-3-carboxylic acidSMILES: CN1CCC(C1=O)C(=O)OInChIKey: LRQXSOWYUQJAOH-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO3/c1-7-3-2-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,9,10)
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1-Isopropyl-2-oxopyrrolidine-4-carboxylic AcidCas Number: 299920-47-1 Compound CID: 3151004Formula: C8H13NO3 Molecular Weight: 171.19IUPAC Name: 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acidSMILES: CC(C)N1CC(CC1=O)C(=O)OInChIKey: YKWIPHFVESIOGN-UHFFFAOYSA-NInChI: InChI=1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
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1-Methyl-2-oxopyrrolidine-4-carboxamidine HydrochlorideCas Number: 1272756-18-9 Compound CID: 55292019Formula: C6H12ClN3O Molecular Weight: 177.63IUPAC Name: 1-methyl-5-oxopyrrolidine-3-carboximidamide;hydrochlorideSMILES: CN1CC(CC1=O)C(=N)N.ClInChIKey: WCJJEIRORBGPRM-UHFFFAOYSA-NInChI: InChI=1S/C6H11N3O.ClH/c1-9-3-4(6(7)8)2-5(9)10;/h4H,2-3H2,1H3,(H3,7,8);1H
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1-(Hydroxymethyl)pyrrolidin-2-oneCas Number: 15438-71-8 Compound CID: 84911Formula: C5H9NO2 Molecular Weight: 115.13IUPAC Name: 1-(hydroxymethyl)pyrrolidin-2-oneSMILES: C1CC(=O)N(C1)COInChIKey: PJEXUIKBGBSHBS-UHFFFAOYSA-NInChI: InChI=1S/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
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1-Acetylpyrrolidine-2-carbaldehydeCas Number: 115859-55-7 Compound CID: 14079976Formula: C7H11NO2 Molecular Weight: 141.17IUPAC Name: 1-acetylpyrrolidine-2-carbaldehydeSMILES: CC(=O)N1CCCC1C=OInChIKey: GNYLIUCLHXIEJV-UHFFFAOYSA-NInChI: InChI=1S/C7H11NO2/c1-6(10)8-4-2-3-7(8)5-9/h5,7H,2-4H2,1H3
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1-(4-Chlorophenyl)pyrrolidine-3-carboxylic acidCas Number: 933719-76-7 Compound CID: 51063833Formula: C11H12ClNO2 Molecular Weight: 225.68IUPAC Name: 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acidSMILES: C1CN(CC1C(=O)O)C2=CC=C(C=C2)ClInChIKey: AOKQMHHJOMXSMH-UHFFFAOYSA-NInChI: InChI=1S/C11H12ClNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
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1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidineCas Number: 857283-63-7 Compound CID: 18525743Formula: C16H24BNO2 Molecular Weight: 273.2IUPAC Name: 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidineSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCCC3InChIKey: ATWXYVDFJLESJV-UHFFFAOYSA-NInChI: InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-8-7-9-14(12-13)18-10-5-6-11-18/h7-9,12H,5-6,10-11H2,1-4H3
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1-(3-Hydroxyphenyl)Pyrrolidine-2,5-DioneCas Number: 1204-36-0 Compound CID: 6951385IUPAC Name: 1-(3-hydroxyphenyl)pyrrolidine-2,5-dioneSMILES: C1CC(=O)N(C1=O)C2=CC(=CC=C2)OInChIKey: JKQLQZKMBVUJCI-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(11)14/h1-3,6,12H,4-5H2
