1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one

C12H15NO — CID 3041823

IUPAC1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one
SMILESO=c1c2c([nH]c3c1CCC3)CCCC2
InChIInChI=1S/C12H15NO/c14-12-8-4-1-2-6-10(8)13-11-7-3-5-9(11)12/h1-7H2,(H,13,14)
InChIKeyGRDPOMDASSPZHP-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.74
Rot. Bonds

About 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one

1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one (PubChem CID 3041823) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one
PubChem CID3041823
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one
SMILESO=c1c2c([nH]c3c1CCC3)CCCC2
InChIInChI=1S/C12H15NO/c14-12-8-4-1-2-6-10(8)13-11-7-3-5-9(11)12/h1-7H2,(H,13,14)
InChIKeyGRDPOMDASSPZHP-UHFFFAOYSA-N
XLogP1.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-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 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one (CID 3041823) is 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one is O=c1c2c([nH]c3c1CCC3)CCCC2.
What is the InChIKey of 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one?
The InChIKey is GRDPOMDASSPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-8-4-1-2-6-10(8)13-11-7-3-5-9(11)12/h1-7H2,(H,13,14).
What are the key properties of 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one?
1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one has a molecular weight of 189.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 3041823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).