3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H22N2O — CID 82522850

IUPAC3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(N)c1cc2c(n(C3CCCC3)c1=O)CCC2
InChIInChI=1S/C15H22N2O/c1-10(16)13-9-11-5-4-8-14(11)17(15(13)18)12-6-2-3-7-12/h9-10,12H,2-8,16H2,1H3
InChIKeyLTEWITINUHHCBJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.47
Rot. Bonds2

About 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522850) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522850
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(N)c1cc2c(n(C3CCCC3)c1=O)CCC2
InChIInChI=1S/C15H22N2O/c1-10(16)13-9-11-5-4-8-14(11)17(15(13)18)12-6-2-3-7-12/h9-10,12H,2-8,16H2,1H3
InChIKeyLTEWITINUHHCBJ-UHFFFAOYSA-N
XLogP2.47
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-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-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522850) is 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(N)c1cc2c(n(C3CCCC3)c1=O)CCC2.
What is the InChIKey of 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is LTEWITINUHHCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(16)13-9-11-5-4-8-14(11)17(15(13)18)12-6-2-3-7-12/h9-10,12H,2-8,16H2,1H3.
What are the key properties of 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).