1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride

C7H12ClNO — CID 71313000

IUPAC1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride
SMILESCC(=O)C1=NCCCC1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h2-5H2,1H3;1H
InChIKeyHBGCMUOZFASYRU-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.62
Rot. Bonds1

About 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride

1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride (PubChem CID 71313000) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride
PubChem CID71313000
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride
SMILESCC(=O)C1=NCCCC1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h2-5H2,1H3;1H
InChIKeyHBGCMUOZFASYRU-UHFFFAOYSA-N
XLogP1.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;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 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride (CID 71313000) is 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride is CC(=O)C1=NCCCC1.Cl.
What is the InChIKey of 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride?
The InChIKey is HBGCMUOZFASYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h2-5H2,1H3;1H.
What are the key properties of 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride?
1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone;hydrochloride is sourced from PubChem (CID 71313000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).