Basic information
- CAS
27158-84-5- Standard SMILES
CN(C)Cc1cn2c3c(cccc13)C(=O)NCC2- InChIKey
AWCJWBMPKPFWSK-UHFFFAOYSA-N- Molecular formula
- C14H17N3O
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.13716217
Names & identifiers
- Preferred name
- Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4-dihydro-7-((dimethylamino)methyl)-
- IUPAC
- 3-[(dimethylamino)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
- English name
- 3,4-Dihydro-7-[(dimethylamino)methyl]pyrrolo[3,2,1-jk][1,4]benzodiazepin-1(2H)-one
- Molecular formula
- C14H17N3O
- Molecular weight
- 243.3
Names & synonyms
BRN 075119527158-84-57-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-onePyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4-dihydro-7-((dimethylamino)methyl)-RefChem:378244DTXSID209499077-[(Dimethylamino)methyl]-3,4-dihydro[1,4]diazepino[6,7,1-hi]indol-1-ol3,4-Dihydro-7-[(dimethylamino)methyl]pyrrolo[3,2,1-jk][1,4]benzodiazepin-1(2H)-onePyrrolo[3,2,1-jk][1,4]benzodiazepin-1(2H)-one, 7-[(dimethylamino)methyl]-3,4-dihydro-
Database identifiers
- CAS
27158-84-5- PubChem CID
- 213865
- DTXSID
DTXSID20949907- Nikkaji
- J72.921C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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