2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one

C13H15NO — CID 19707357

IUPAC2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2c3ccccc3CCC2N1
InChIInChI=1S/C13H15NO/c15-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)14-13/h1-4,11-12H,5-8H2,(H,14,15)
InChIKeyBLWLGMNKDFKUHA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.00
Rot. Bonds

About 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one

2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one (PubChem CID 19707357) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
PubChem CID19707357
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2c3ccccc3CCC2N1
InChIInChI=1S/C13H15NO/c15-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)14-13/h1-4,11-12H,5-8H2,(H,14,15)
InChIKeyBLWLGMNKDFKUHA-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,10bR)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 10750589
(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 54374837
(4aR,10bR)-8-chloro-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 10059992
(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949
(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488951
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918
1,3,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-2-one
CID 19347400
(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
CID 10997766
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092

Frequently Asked Questions

What is the IUPAC name of 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one (CID 19707357) is 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one is O=C1CCC2c3ccccc3CCC2N1.
What is the InChIKey of 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is BLWLGMNKDFKUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)14-13/h1-4,11-12H,5-8H2,(H,14,15).
What are the key properties of 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 201.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 19707357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).