1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one

C11H15NO — CID 172713673

IUPAC1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one
SMILESCCN1CCC(=O)C2CC=CC=C21
InChIInChI=1S/C11H15NO/c1-2-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyFOPIBLKCQXYAMX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.74
Rot. Bonds1

About 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one

1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one (PubChem CID 172713673) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one
PubChem CID172713673
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one
SMILESCCN1CCC(=O)C2CC=CC=C21
InChIInChI=1S/C11H15NO/c1-2-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyFOPIBLKCQXYAMX-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2,3,4a,5-tetrahydroquinolin-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

Tetrahydro-4-quinolone
CID 66867494
n-Acetyltetrahydroquinoline
CID 69159448
Hexahydrobenzo[a]quinolizin-2-one
CID 69970361
1-Ethyl-6,7-difluoro-1,2,3,4-tetrahydro-5-oxoquinoline
CID 131720168
N-acetyl-tetrahydro-4-oxoquinoline
CID 129789139
3-Methyltetrahydro-4-quinolone
CID 129795595
9,10-Dimethyl-3-(2-methylpropyl)-1,3,4,6,7,7a-hexahydrobenzo[a]quinolizin-2-one
CID 20202980
10-Ethyl-4a,8a,9a,10a-tetrahydroacridin-9-one
CID 66598494
1,2,5,6,6a,10a-Hexahydrobenzo[f]quinolizin-3-one
CID 67617320
1-Methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one
CID 67618319
3,4,6,7,7a,11a-Hexahydrobenzo[a]quinolizin-2-one
CID 67920056
1-(6-ethyl-2H-pyridin-1-yl)-2-methylhexan-3-one
CID 68450875

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one?
The IUPAC name of 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one (CID 172713673) is 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one.
What is the SMILES notation for 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one?
The canonical SMILES for 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one is CCN1CCC(=O)C2CC=CC=C21.
What is the InChIKey of 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one?
The InChIKey is FOPIBLKCQXYAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one?
1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4a,5-tetrahydroquinolin-4-one is sourced from PubChem (CID 172713673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).