(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one

C10H13NO — CID 125482296

IUPAC(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESC[C@H]1CCCn2c1cccc2=O
InChIInChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h2,5-6,8H,3-4,7H2,1H3/t8-/m0/s1
InChIKeyFAXNXDAJGRPVSL-QMMMGPOBSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds

About (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one

(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 125482296) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID125482296
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESC[C@H]1CCCn2c1cccc2=O
InChIInChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h2,5-6,8H,3-4,7H2,1H3/t8-/m0/s1
InChIKeyFAXNXDAJGRPVSL-QMMMGPOBSA-N
XLogP1.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-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

N-Methylcytisine
CID 670971
Caulophylline
CID 234566
Cytisinium, N,N-dimethyl-, iodide
CID 22124
N-acetylcytisine
CID 3716901
(1R,5S)-3-Iodo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
CID 52940656
(1R,5S)-3-(3-Buten-1-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CID 92795
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-
CID 547355
(1R)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CID 1278189
(1R,5S)-3-Pentyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
CID 44592967
(1R,9S)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 927586
(1S,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 7067420
SureCN14206891
CID 442947

Frequently Asked Questions

What is the IUPAC name of (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one (CID 125482296) is (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one is C[C@H]1CCCn2c1cccc2=O.
What is the InChIKey of (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is FAXNXDAJGRPVSL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h2,5-6,8H,3-4,7H2,1H3/t8-/m0/s1.
What are the key properties of (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 125482296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).