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

C7H12ClNO — CID 169447164

IUPAC1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CCCCN1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h4,8H,2-3,5H2,1H3;1H
InChIKeyUBUWCGHXPIONEE-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.26
Rot. Bonds1

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

1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride (PubChem CID 169447164) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride
PubChem CID169447164
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CCCCN1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h4,8H,2-3,5H2,1H3;1H
InChIKeyUBUWCGHXPIONEE-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetyl-1,4,5,6-tetrahydropyridine
CID 520194
2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione
CID 233566
2-Propionyl-1,4,5,6-tetrahydropyridine
CID 522742
p-Benzoquinone, 2-((4-(diethylamino)butyl)amino)-5-(methylamino)-
CID 3063568
2,5-Bis(propylamino)cyclohexa-2,5-diene-1,4-dione
CID 2262761
2,5-Bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
CID 21238366
2-Acetylpyrroline
CID 6429016
4-Oxo-6-methyl-1,2,3,4-tetrahydropyridine
CID 12291208
2-Propanoylpyrroline
CID 55299831
2-Ethylidenepyrrolidin-3-one
CID 91589270
2-(Propylamino)cyclohexa-2,5-diene-1,4-dione
CID 129707953
2-(Butylamino)cyclohex-2-en-1-one
CID 14641316

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride (CID 169447164) is 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride is CC(=O)C1=CCCCN1.Cl.
What is the InChIKey of 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride?
The InChIKey is UBUWCGHXPIONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-6(9)7-4-2-3-5-8-7;/h4,8H,2-3,5H2,1H3;1H.
What are the key properties of 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride?
1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone;hydrochloride is sourced from PubChem (CID 169447164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).