1-(2-Methyl-1,4-dihydropyrrolo[3,2-b]indol-3-yl)ethanone
Basic information
- CAS
77411-90-6- Standard SMILES
CC(=O)c1c(C)[nH]c2c1[nH]c1ccccc12- InChIKey
LTJCTJMMQFQJGM-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- 1-(2-Methyl-1,4-dihydropyrrolo[3,2-b]indol-3-yl)ethanone
- IUPAC
- 1-(2-methyl-1,4-dihydropyrrolo[3,2-b]indol-3-yl)ethanone
Names & synonyms
1-(2-methyl-1,4-dihydropyrrolo[3,2-b]indol-3-yl)ethanone77411-90-61-(2-Methyl-1,4-dihydropyrrolo[3,2-b]indol-3-yl)ethan-1-oneNSC365083DTXSID90320820NSC-365083DS-010866Ethanone, 1-(1,4-dihydro-2-methylpyrrolo[3,2-b]indol-3-yl)-
Database identifiers
- CAS
77411-90-6- PubChem CID
- 339252
- DTXSID
DTXSID90320820
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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