5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride

C8H11ClN2O2 — CID 19762914

IUPAC5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCC(=O)c1cc(N)c(=O)[nH]c1C.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-4-6(5(2)11)3-7(9)8(12)10-4;/h3H,9H2,1-2H3,(H,10,12);1H
InChIKeyBUIXXJTXDWQIAM-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.89
Rot. Bonds1

About 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride

5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 19762914) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID19762914
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCC(=O)c1cc(N)c(=O)[nH]c1C.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-4-6(5(2)11)3-7(9)8(12)10-4;/h3H,9H2,1-2H3,(H,10,12);1H
InChIKeyBUIXXJTXDWQIAM-UHFFFAOYSA-N
XLogP0.89
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride (CID 19762914) is 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride is CC(=O)c1cc(N)c(=O)[nH]c1C.Cl.
What is the InChIKey of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is BUIXXJTXDWQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-4-6(5(2)11)3-7(9)8(12)10-4;/h3H,9H2,1-2H3,(H,10,12);1H.
What are the key properties of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride?
5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 19762914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).