1-methyl-2,8a-dihydroquinolin-3-one

C10H11NO — CID 101198322

IUPAC1-methyl-2,8a-dihydroquinolin-3-one
SMILESCN1CC(=O)C=C2C=CC=CC21
InChIInChI=1S/C10H11NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-6,10H,7H2,1H3
InChIKeyCGWMAZWVVAJZKY-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.92
Rot. Bonds

About 1-methyl-2,8a-dihydroquinolin-3-one

1-methyl-2,8a-dihydroquinolin-3-one (PubChem CID 101198322) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methyl-2,8a-dihydroquinolin-3-one.

Molecular Properties

Compound Name1-methyl-2,8a-dihydroquinolin-3-one
PubChem CID101198322
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-methyl-2,8a-dihydroquinolin-3-one
SMILESCN1CC(=O)C=C2C=CC=CC21
InChIInChI=1S/C10H11NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-6,10H,7H2,1H3
InChIKeyCGWMAZWVVAJZKY-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2,8a-dihydroquinolin-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

Quinolizinone
CID 7095278
1-[6-(difluoromethyl)-2,3-dimethyl-3H-isoquinolin-1-yl]prop-2-en-1-one
CID 91497542
1-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
(R)-2-(but-3-en-2-yl)isoquinolin-6(2H)-one
CID 146026876
1-Propan-2-yl-2,6-dihydropyridin-3-one
CID 54027904
1,2,6-Trimethyl-2,6-dihydropyridin-3-one
CID 68967124
1-[4-(Dimethylamino)cyclohexa-1,5-dien-1-yl]ethanone
CID 117789774
(6R)-6-ethyl-1,4-dimethyl-2,6-dihydropyridin-3-one
CID 117945258
1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one
CID 129017720
1-(2,3-dimethyl-2H-pyridin-1-yl)propan-2-one
CID 129017777
9-Methyl-4,9a-dihydroquinolizin-1-one
CID 140377255

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,8a-dihydroquinolin-3-one?
The IUPAC name of 1-methyl-2,8a-dihydroquinolin-3-one (CID 101198322) is 1-methyl-2,8a-dihydroquinolin-3-one.
What is the SMILES notation for 1-methyl-2,8a-dihydroquinolin-3-one?
The canonical SMILES for 1-methyl-2,8a-dihydroquinolin-3-one is CN1CC(=O)C=C2C=CC=CC21.
What is the InChIKey of 1-methyl-2,8a-dihydroquinolin-3-one?
The InChIKey is CGWMAZWVVAJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-6,10H,7H2,1H3.
What are the key properties of 1-methyl-2,8a-dihydroquinolin-3-one?
1-methyl-2,8a-dihydroquinolin-3-one has a molecular weight of 161.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,8a-dihydroquinolin-3-one is sourced from PubChem (CID 101198322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).