3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one

C13H15NO — CID 54127143

IUPAC3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
SMILESO=C1CN=C2CCC3C=CC=CC3C2C1
InChIInChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,9,11-12H,5-8H2
InChIKeyNRTRVVRMRCMTOF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.17
Rot. Bonds

About 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one

3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one (PubChem CID 54127143) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one.

Molecular Properties

Compound Name3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
PubChem CID54127143
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
SMILESO=C1CN=C2CCC3C=CC=CC3C2C1
InChIInChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,9,11-12H,5-8H2
InChIKeyNRTRVVRMRCMTOF-UHFFFAOYSA-N
XLogP2.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-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 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
The IUPAC name of 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one (CID 54127143) is 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one.
What is the SMILES notation for 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
The canonical SMILES for 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one is O=C1CN=C2CCC3C=CC=CC3C2C1.
What is the InChIKey of 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
The InChIKey is NRTRVVRMRCMTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,9,11-12H,5-8H2.
What are the key properties of 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one?
3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one is sourced from PubChem (CID 54127143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).