2-Acetyl-1,2,8,8a-tetrahydro-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one

HCID 149342

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Basic information

CAS: 104636-96-6
Standard SMILES: CC(=O)N1CC2CC23C1=CC(=O)c1[nH]cc(C)c13
InChIKey: CXHWKBPWMNNXMU-UHFFFAOYSA-N
Molecular formula: C14H14N2O2
Average molar mass: 242.27 g/mol
Monoisotopic mass: 242.10552769

Names & identifiers

Preferred name: 2-Acetyl-1,2,8,8a-tetrahydro-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one
IUPAC: 10-acetyl-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one

Names & synonyms

104636-96-62-Acetyl-1,2,8,8a-tetrahydro-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-oneCHEMBL345821DTXSID70909091Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 2-acetyl-1,2,8,8a-tetrahydro-7-methyl-6-Acetyl-3-methyl-4,4a,5,6-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one

Database identifiers

CAS: 104636-96-6
PubChem CID: 149342
DTXSID: DTXSID70909091
ChEMBL: CHEMBL345821

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 53.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 498

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