1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride

C7H10ClNO — CID 3020215

IUPAC1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CC=CNC1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-4,8H,5H2,1H3;1H
InChIKeyORWYYDIZXNMHQM-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.04
Rot. Bonds1

About 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride

1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride (PubChem CID 3020215) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride
PubChem CID3020215
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CC=CNC1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-4,8H,5H2,1H3;1H
InChIKeyORWYYDIZXNMHQM-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride (CID 3020215) is 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride is CC(=O)C1=CC=CNC1.Cl.
What is the InChIKey of 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride?
The InChIKey is ORWYYDIZXNMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-4,8H,5H2,1H3;1H.
What are the key properties of 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride?
1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 3020215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).