Basic information
- CAS
104636-99-9- Standard SMILES
CC1=C2CC23C(=N1)CC(=O)C1=C3CC(C(=O)c2cc3ccccc3[nH]2)N1- InChIKey
ASDPPBSACIXPBS-UHFFFAOYSA-N- Molecular formula
- C21H17N3O2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13207679
Names & identifiers
- Preferred name
- Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-2-(1H-indol-2-ylcarbonyl)-7-methyl-, (+-)-
- IUPAC
- 4-(1H-indole-2-carbonyl)-11-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),9,11-trien-7-one
Names & synonyms
104636-99-9U 66694BRN 6243491U-66694Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-2-(1H-indol-2-ylcarbonyl)-7-methyl-, (+-)-DTXSID909090932-(1H-Indole-2-carbonyl)-5-methyl-2,3,4,7-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one
Database identifiers
- CAS
104636-99-9- PubChem CID
- 59869
- DTXSID
DTXSID90909093
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 851
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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