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

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Basic information

CAS: 79035-09-9
Standard SMILES: Cc1c[nH]c2c1C13CC1CN(S(C)(=O)=O)C3=CC2=O
InChIKey: KYNKYZUQDFXAGD-UHFFFAOYSA-N
Molecular formula: C13H14N2O3S
Average molar mass: 278.33 g/mol
Monoisotopic mass: 278.07251349

Names & identifiers

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

Names & synonyms

79035-09-9U-627367-Methyl-2-(methylsulfonyl)1,2,8,8a-tetrahydro-cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-oneCyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-7-methyl-2-(methylsulfonyl)-U 62736CHEMBL158150DTXSID501000214(+-)-1,2,8,8a-Tetrahydro-7-methyl-2-(methylsulfonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one89553-54-8Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-7-methyl-2-(methylsulfonyl)-, (+-)-6-(Methanesulfonyl)-3-methyl-4,4a,5,6-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one

Database identifiers

CAS: 79035-09-9、89553-54-8
PubChem CID: 150241
DTXSID: DTXSID501000214
ChEMBL: CHEMBL158150
Nikkaji: J392.210C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 606

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Compound notes

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