2-Benzoyl-7-methyl-1,2,8,8a-tetrahydro-cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one

HCID 149696

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Basic information

CAS: 101134-72-9
Standard SMILES: Cc1c[nH]c2c1C13CC1CN(C(=O)c1ccccc1)C3=CC2=O
InChIKey: BXJADPXXGBUTFR-UHFFFAOYSA-N
Molecular formula: C19H16N2O2
Average molar mass: 304.3 g/mol
Monoisotopic mass: 304.12117776

Names & identifiers

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

Names & synonyms

2-Benzoyl-7-methyl-1,2,8,8a-tetrahydro-cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one101134-72-9U 66866U-66866Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-2-benzoyl-7-methyl-CHEMBL346916SCHEMBL10465176DTXSID90905954(+-)-2-Benzoyl-1,2,8,8a-tetrahydro-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one105622-86-4Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 2-benzoyl-1,2,8,8a-tetrahydro-7-methyl-, (+-)-6-Benzoyl-3-methyl-4,4a,5,6-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one

Database identifiers

CAS: 101134-72-9、105622-86-4
PubChem CID: 149696
DTXSID: DTXSID90905954
ChEMBL: CHEMBL346916

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 53.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 606

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