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9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one - Reagent Grade, high purity , CAS No.1485-19-4
Basic Description
Synonyms
STL256833 | DTXSID40297275 | 9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one | BS-35725 | MFCD00230526 | 9-methyl-3,4-dihydro-2H-carbazol-1-one | NSC115038 | NSC-115038 | 1H-Carbazol-1-one, 2,3,4,9-tetrahydro-9-methyl- | SR-01000395383 | FT-0741256 | CHEMBR
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Carbazoles
Intermediate Tree Nodes
Not available
Direct Parent
Carbazoles
Alternative Parents
N-alkylindoles 3-alkylindoles Aryl alkyl ketones N-methylpyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbazole - N-alkylindole - 3-alkylindole - Indole - Aryl alkyl ketone - Aryl ketone - N-methylpyrrole - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
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
9-methyl-3,4-dihydro-2H-carbazol-1-one
INCHI
InChI=1S/C13H13NO/c1-14-11-7-3-2-5-9(11)10-6-4-8-12(15)13(10)14/h2-3,5,7H,4,6,8H2,1H3
InChIKey
IGFSAVURETUQDW-UHFFFAOYSA-N
Smiles
CN1C2=CC=CC=C2C3=C1C(=O)CCC3
Isomeric SMILES
CN1C2=CC=CC=C2C3=C1C(=O)CCC3
Molecular Weight
199.24
Reaxy-Rn
178156
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=178156&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
199.250 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
199.1 Da
Monoisotopic Mass
199.1 Da
Topological Polar Surface Area
22.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
276.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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