5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride

C11H17ClN2O — CID 19768457

IUPAC5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NC1(c2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C11H16N2O.ClH/c12-11(6-2-1-3-7-11)9-4-5-10(14)13-8-9;/h4-5,8H,1-3,6-7,12H2,(H,13,14);1H
InChIKeyDIHHKVCFVFRQMO-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.91
Rot. Bonds1

About 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride

5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 19768457) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride
PubChem CID19768457
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NC1(c2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C11H16N2O.ClH/c12-11(6-2-1-3-7-11)9-4-5-10(14)13-8-9;/h4-5,8H,1-3,6-7,12H2,(H,13,14);1H
InChIKeyDIHHKVCFVFRQMO-UHFFFAOYSA-N
XLogP1.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride 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 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride (CID 19768457) is 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride is Cl.NC1(c2ccc(=O)[nH]c2)CCCCC1.
What is the InChIKey of 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is DIHHKVCFVFRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c12-11(6-2-1-3-7-11)9-4-5-10(14)13-8-9;/h4-5,8H,1-3,6-7,12H2,(H,13,14);1H.
What are the key properties of 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride?
5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 19768457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).