(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile

C11H12N2O — CID 155541424

IUPAC(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/n1cc(C)cc(C)c1=O
InChIInChI=1S/C11H12N2O/c1-8-4-10(3)11(14)13(6-8)7-9(2)5-12/h4,6-7H,1-3H3/b9-7-
InChIKeyNVXGALADZOKAJO-CLFYSBASSA-N
MW188.23 g/mol
LogP1.85
Rot. Bonds1

About (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile

(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile (PubChem CID 155541424) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
PubChem CID155541424
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/n1cc(C)cc(C)c1=O
InChIInChI=1S/C11H12N2O/c1-8-4-10(3)11(14)13(6-8)7-9(2)5-12/h4,6-7H,1-3H3/b9-7-
InChIKeyNVXGALADZOKAJO-CLFYSBASSA-N
XLogP1.85
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile (CID 155541424) is (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile is C/C(C#N)=C/n1cc(C)cc(C)c1=O.
What is the InChIKey of (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile?
The InChIKey is NVXGALADZOKAJO-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-4-10(3)11(14)13(6-8)7-9(2)5-12/h4,6-7H,1-3H3/b9-7-.
What are the key properties of (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile?
(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile has a molecular weight of 188.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile is sourced from PubChem (CID 155541424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).