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Hexahydro-pyrrolo[1,2-a]pyrazin-6-one , CAS No.117810-52-3
Discover Hexahydro-pyrrolo[1,2-a]pyrazin-6-one by Aladdin Scientific in for only $139.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
tetrahydropyrrolo[1,2-a]pyrazin-6(1H,2H,7H)-one | 2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one | Hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one | MFCD08752614 | AS-30753 | 1,4-diazabicyclo[4.3.0]nonan-9-one | (rac)-hexahydropyrrolo[1,2-a]pyrazin-6-one
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Piperazines
Alternative Parents
Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Lactams Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Piperazine - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
INCHI
InChI=1S/C7H12N2O/c10-7-2-1-6-5-8-3-4-9(6)7/h6,8H,1-5H2
InChIKey
BHFXPKPIPBNKFI-UHFFFAOYSA-N
Smiles
C1CC(=O)N2C1CNCC2
Isomeric SMILES
C1CC(=O)N2C1CNCC2
Molecular Weight
140.18
Reaxy-Rn
8050353
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8050353&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
140.180 g/mol
XLogP3
-0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
140.095 Da
Monoisotopic Mass
140.095 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
158.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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