(7bR)-1,2,8,8a-Tetrahydro-2-(1H-indol-2-ylcarbonyl)-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one

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Basic information

CAS: 110352-06-2
Standard SMILES: Cc1c[nH]c2c1C13CC1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O
InChIKey: XSIHIAJHMICCIT-UHFFFAOYSA-N
Molecular formula: C21H17N3O2
Average molar mass: 343.4 g/mol
Monoisotopic mass: 343.13207679

Names & identifiers

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

Names & synonyms

(+)-AB110352-06-2(7bR)-1,2,8,8a-Tetrahydro-2-(1H-indol-2-ylcarbonyl)-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-oneCyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-2-(1H-indol-2-ylcarbonyl)-7-methyl-, (7bR)-CHEMBL154413DTXSID709116146-(1H-Indole-2-carbonyl)-3-methyl-4,4a,5,6-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one

Database identifiers

CAS: 110352-06-2
PubChem CID: 10246829
DTXSID: DTXSID70911614
ChEMBL: CHEMBL154413

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 69 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 26
Formal charge: 0
Complexity: 718

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Compound notes

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