N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide

C8H10N2O2 — CID 13205642

IUPACN-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide
SMILESCC(=O)/N=c1\c(C)cccn1O
InChIInChI=1S/C8H10N2O2/c1-6-4-3-5-10(12)8(6)9-7(2)11/h3-5,12H,1-2H3/b9-8+
InChIKeyKIJBQIUAZIPWLJ-CMDGGOBGSA-N
MW166.18 g/mol
LogP0.48
Rot. Bonds

About N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide

N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide (PubChem CID 13205642) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide
PubChem CID13205642
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide
SMILESCC(=O)/N=c1\c(C)cccn1O
InChIInChI=1S/C8H10N2O2/c1-6-4-3-5-10(12)8(6)9-7(2)11/h3-5,12H,1-2H3/b9-8+
InChIKeyKIJBQIUAZIPWLJ-CMDGGOBGSA-N
XLogP0.48
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide?
The IUPAC name of N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide (CID 13205642) is N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide is CC(=O)/N=c1\c(C)cccn1O.
What is the InChIKey of N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide?
The InChIKey is KIJBQIUAZIPWLJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-4-3-5-10(12)8(6)9-7(2)11/h3-5,12H,1-2H3/b9-8+.
What are the key properties of N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide?
N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide has a molecular weight of 166.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide is sourced from PubChem (CID 13205642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).