3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one

C14H15NO — CID 79737986

IUPAC3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(C2CCCc3cccnc32)CC1
InChIInChI=1S/C14H15NO/c16-12-7-6-11(9-12)13-5-1-3-10-4-2-8-15-14(10)13/h2,4,8-9,13H,1,3,5-7H2
InChIKeySUWIKOPVDDYZSH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.79
Rot. Bonds1

About 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one

3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one (PubChem CID 79737986) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
PubChem CID79737986
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(C2CCCc3cccnc32)CC1
InChIInChI=1S/C14H15NO/c16-12-7-6-11(9-12)13-5-1-3-10-4-2-8-15-14(10)13/h2,4,8-9,13H,1,3,5-7H2
InChIKeySUWIKOPVDDYZSH-UHFFFAOYSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-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

(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738012
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
5,5-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohex-2-en-1-ol
CID 79738968
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
2-bromo-5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazole
CID 79739266
3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one (CID 79737986) is 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one is O=C1C=C(C2CCCc3cccnc32)CC1.
What is the InChIKey of 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one?
The InChIKey is SUWIKOPVDDYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-12-7-6-11(9-12)13-5-1-3-10-4-2-8-15-14(10)13/h2,4,8-9,13H,1,3,5-7H2.
What are the key properties of 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one?
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 79737986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).