2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile

C10H10N2O2 — CID 3291815

IUPAC2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H10N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h3,5,14H,1,4H2,2H3
InChIKeyUOWJPHYTOCHYJG-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.92
Rot. Bonds2

About 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile

2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile (PubChem CID 3291815) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
PubChem CID3291815
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H10N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h3,5,14H,1,4H2,2H3
InChIKeyUOWJPHYTOCHYJG-UHFFFAOYSA-N
XLogP0.92
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile (CID 3291815) is 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile is C=CCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The InChIKey is UOWJPHYTOCHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h3,5,14H,1,4H2,2H3.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile is sourced from PubChem (CID 3291815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).