4a,6,7,8-tetrahydro-2H-quinolin-5-one

C9H11NO — CID 123972882

IUPAC4a,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESO=C1CCCC2=NCC=CC12
InChIInChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,7H,1,4-6H2
InChIKeyKPVALPRPSAIKJY-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.37
Rot. Bonds

About 4a,6,7,8-tetrahydro-2H-quinolin-5-one

4a,6,7,8-tetrahydro-2H-quinolin-5-one (PubChem CID 123972882) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4a,6,7,8-tetrahydro-2H-quinolin-5-one.

Molecular Properties

Compound Name4a,6,7,8-tetrahydro-2H-quinolin-5-one
PubChem CID123972882
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4a,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESO=C1CCCC2=NCC=CC12
InChIInChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,7H,1,4-6H2
InChIKeyKPVALPRPSAIKJY-UHFFFAOYSA-N
XLogP1.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohex-3-en-1-yl(2,3,4,5-tetrahydropyridin-6-yl)methanone
CID 68199893
3,4a,5,8-tetrahydro-2H-quinolin-4-one
CID 91217683
4a,5-dihydro-2H-quinolin-8-one
CID 91275193
1-(4-Methyliminocyclohex-2-en-1-yl)ethanone
CID 91552461
9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one
CID 123757263
2-chloro-4a,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123766050
3,4a,5,6-tetrahydro-2H-quinolin-4-one
CID 123775196
1-(3,5,6,7,8,8a-Hexahydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 10656510
2-Prop-2-enyl-3-propyliminocyclohexan-1-one
CID 11424099
4a,6,7,8-tetrahydro-4H-quinolin-5-one
CID 46835147
4a,6,7,8-Tetrahydroquinoline-2,5-dione
CID 71302009
4a,5,7,8-Tetrahydroquinoline-2,6-dione
CID 76137346

Frequently Asked Questions

What is the IUPAC name of 4a,6,7,8-tetrahydro-2H-quinolin-5-one?
The IUPAC name of 4a,6,7,8-tetrahydro-2H-quinolin-5-one (CID 123972882) is 4a,6,7,8-tetrahydro-2H-quinolin-5-one.
What is the SMILES notation for 4a,6,7,8-tetrahydro-2H-quinolin-5-one?
The canonical SMILES for 4a,6,7,8-tetrahydro-2H-quinolin-5-one is O=C1CCCC2=NCC=CC12.
What is the InChIKey of 4a,6,7,8-tetrahydro-2H-quinolin-5-one?
The InChIKey is KPVALPRPSAIKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,7H,1,4-6H2.
What are the key properties of 4a,6,7,8-tetrahydro-2H-quinolin-5-one?
4a,6,7,8-tetrahydro-2H-quinolin-5-one has a molecular weight of 149.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6,7,8-tetrahydro-2H-quinolin-5-one is sourced from PubChem (CID 123972882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).