Basic information
- CAS
77738-79-5- Standard SMILES
O=c1c2c([nH]c3c4c(ccc13)NCCC4)CCC2- InChIKey
YXBKVNXVZPHSTJ-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- 1,2,3,4,8,9,10,11-Octahydrocyclopenta[b][1,7]phenanthrolin-7-one
- IUPAC
- 1,2,3,4,8,9,10,11-octahydrocyclopenta[b][1,7]phenanthrolin-7-one
Names & synonyms
NSC35116077738-79-5DTXSID20319823NSC-3511601,2,3,4,8,9,10,11-Octahydro-7H-cyclopenta[b][1,7]phenanthrolin-7-one
Database identifiers
- CAS
77738-79-5- PubChem CID
- 336502
- DTXSID
DTXSID20319823
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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