1-methyl-2,6-dihydropyridin-3-one;hydrochloride

C6H10ClNO — CID 71330640

IUPAC1-methyl-2,6-dihydropyridin-3-one;hydrochloride
SMILESCN1CC=CC(=O)C1.Cl
InChIInChI=1S/C6H9NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-3H,4-5H2,1H3;1H
InChIKeyDUEGMRNKWWFVET-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.48
Rot. Bonds

About 1-methyl-2,6-dihydropyridin-3-one;hydrochloride

1-methyl-2,6-dihydropyridin-3-one;hydrochloride (PubChem CID 71330640) has the molecular formula C6H10ClNO and a molecular weight of 147.61 g/mol. Its IUPAC name is 1-methyl-2,6-dihydropyridin-3-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-2,6-dihydropyridin-3-one;hydrochloride
PubChem CID71330640
Molecular FormulaC6H10ClNO
Molecular Weight147.61 g/mol
Exact Mass147.05
IUPAC Name1-methyl-2,6-dihydropyridin-3-one;hydrochloride
SMILESCN1CC=CC(=O)C1.Cl
InChIInChI=1S/C6H9NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-3H,4-5H2,1H3;1H
InChIKeyDUEGMRNKWWFVET-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-dihydropyridin-3-one;hydrochloride?
The IUPAC name of 1-methyl-2,6-dihydropyridin-3-one;hydrochloride (CID 71330640) is 1-methyl-2,6-dihydropyridin-3-one;hydrochloride.
What is the SMILES notation for 1-methyl-2,6-dihydropyridin-3-one;hydrochloride?
The canonical SMILES for 1-methyl-2,6-dihydropyridin-3-one;hydrochloride is CN1CC=CC(=O)C1.Cl.
What is the InChIKey of 1-methyl-2,6-dihydropyridin-3-one;hydrochloride?
The InChIKey is DUEGMRNKWWFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-3H,4-5H2,1H3;1H.
What are the key properties of 1-methyl-2,6-dihydropyridin-3-one;hydrochloride?
1-methyl-2,6-dihydropyridin-3-one;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-dihydropyridin-3-one;hydrochloride is sourced from PubChem (CID 71330640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).