2,3,4a,8a-tetrahydro-1H-quinolin-4-one

C9H11NO — CID 57088589

IUPAC2,3,4a,8a-tetrahydro-1H-quinolin-4-one
SMILESO=C1CCNC2C=CC=CC12
InChIInChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,7-8,10H,5-6H2
InChIKeyCZYFCDFHXOMZGH-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.66
Rot. Bonds

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

2,3,4a,8a-tetrahydro-1H-quinolin-4-one (PubChem CID 57088589) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3,4a,8a-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3,4a,8a-tetrahydro-1H-quinolin-4-one
PubChem CID57088589
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3,4a,8a-tetrahydro-1H-quinolin-4-one
SMILESO=C1CCNC2C=CC=CC12
InChIInChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,7-8,10H,5-6H2
InChIKeyCZYFCDFHXOMZGH-UHFFFAOYSA-N
XLogP0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4a,8a-tetrahydro-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2,3,4a,8a-tetrahydro-1H-quinolin-4-one (CID 57088589) is 2,3,4a,8a-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2,3,4a,8a-tetrahydro-1H-quinolin-4-one is O=C1CCNC2C=CC=CC12.
What is the InChIKey of 2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
The InChIKey is CZYFCDFHXOMZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,7-8,10H,5-6H2.
What are the key properties of 2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
2,3,4a,8a-tetrahydro-1H-quinolin-4-one has a molecular weight of 149.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,8a-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 57088589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).