1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one

C13H19NO — CID 10774629

IUPAC1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one
SMILESO=C1CCCC2C3CCCCC3=CCN12
InChIInChI=1S/C13H19NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h8,11-12H,1-7,9H2
InChIKeyGVYLHNAMUZQJAR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds

About 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one

1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one (PubChem CID 10774629) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one
PubChem CID10774629
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one
SMILESO=C1CCCC2C3CCCCC3=CCN12
InChIInChI=1S/C13H19NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h8,11-12H,1-7,9H2
InChIKeyGVYLHNAMUZQJAR-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-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

(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566
(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 11401111
2,5,7,8,9,10,10a,10b-octahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 15482206
(3S,8aR)-2,3-dimethyl-8a-prop-2-enyl-4,6-dihydro-3H-isoquinolin-1-one
CID 15831395
(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one
CID 72946609
13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
CID 123883569
(4aR,8aS)-3-methyl-1-propan-2-yl-4a,5,6,8a-tetrahydroquinoline-2,4-dione
CID 134991833
(4aR,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 14526647
(4aS,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 131871786
(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one
CID 15460454
(6aR,10bS)-4,7,8,10b-tetramethyl-2,4a,5,6,6a,7,8,9-octahydro-1H-benzo[f]quinolin-3-one
CID 53786893
(6aS,10bR)-4,7,8,10b-tetramethyl-2,4a,5,6,6a,7,8,9-octahydro-1H-benzo[f]quinolin-3-one
CID 53786894

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one?
The IUPAC name of 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one (CID 10774629) is 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one is O=C1CCCC2C3CCCCC3=CCN12.
What is the InChIKey of 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one?
The InChIKey is GVYLHNAMUZQJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-7-3-6-12-11-5-2-1-4-10(11)8-9-14(12)13/h8,11-12H,1-7,9H2.
What are the key properties of 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one?
1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one has a molecular weight of 205.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,8,9,10,11,11a,11b-decahydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 10774629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).