2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one

C10H13NO — CID 156694407

IUPAC2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one
SMILESCC1CCC2=C(N1)C(=O)CC=C2
InChIInChI=1S/C10H13NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-3,7,11H,4-6H2,1H3
InChIKeyLCGNUFKZDFYXFF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds

About 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one

2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one (PubChem CID 156694407) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one.

Molecular Properties

Compound Name2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one
PubChem CID156694407
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one
SMILESCC1CCC2=C(N1)C(=O)CC=C2
InChIInChI=1S/C10H13NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-3,7,11H,4-6H2,1H3
InChIKeyLCGNUFKZDFYXFF-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-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

2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one
CID 6428846
Tetra-hydroquinolin-8-one
CID 68871729
4-Tetrahydroquinol-4-one
CID 129694425
Dihydroindol-7(6h)-one
CID 129710811
(5Z,7Z)-5-ethyl-6-fluoro-3-(prop-1-en-2-ylamino)nona-5,7-dien-4-one
CID 169661442
1-amino-10,10a-dihydro-1H-acridin-2-one
CID 19935232
2-methyl-5,8a-dihydro-1H-quinolin-8-one
CID 20136137
2,3,4,6-tetrahydro-1H-quinolin-5-one
CID 20326550
2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide
CID 21419385
2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one
CID 21419386
1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one
CID 21448142
10,10a-dihydro-1H-acridin-2-one
CID 22375080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The IUPAC name of 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one (CID 156694407) is 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one.
What is the SMILES notation for 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The canonical SMILES for 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one is CC1CCC2=C(N1)C(=O)CC=C2.
What is the InChIKey of 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The InChIKey is LCGNUFKZDFYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one?
2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one has a molecular weight of 163.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one is sourced from PubChem (CID 156694407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).