2-(1-methyl-4-pyridinylidene)propanenitrile

C9H10N2 — CID 15920787

IUPAC2-(1-methyl-4-pyridinylidene)propanenitrile
SMILESCC(C#N)=C1C=CN(C)C=C1
InChIInChI=1S/C9H10N2/c1-8(7-10)9-3-5-11(2)6-4-9/h3-6H,1-2H3
InChIKeyUKNNEAIIFRNVAT-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.80
Rot. Bonds

About 2-(1-methyl-4-pyridinylidene)propanenitrile

2-(1-methyl-4-pyridinylidene)propanenitrile (PubChem CID 15920787) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(1-methyl-4-pyridinylidene)propanenitrile.

Molecular Properties

Compound Name2-(1-methyl-4-pyridinylidene)propanenitrile
PubChem CID15920787
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-(1-methyl-4-pyridinylidene)propanenitrile
SMILESCC(C#N)=C1C=CN(C)C=C1
InChIInChI=1S/C9H10N2/c1-8(7-10)9-3-5-11(2)6-4-9/h3-6H,1-2H3
InChIKeyUKNNEAIIFRNVAT-UHFFFAOYSA-N
XLogP1.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(1-methyl-4-pyridinylidene)propanenitrile?
The IUPAC name of 2-(1-methyl-4-pyridinylidene)propanenitrile (CID 15920787) is 2-(1-methyl-4-pyridinylidene)propanenitrile.
What is the SMILES notation for 2-(1-methyl-4-pyridinylidene)propanenitrile?
The canonical SMILES for 2-(1-methyl-4-pyridinylidene)propanenitrile is CC(C#N)=C1C=CN(C)C=C1.
What is the InChIKey of 2-(1-methyl-4-pyridinylidene)propanenitrile?
The InChIKey is UKNNEAIIFRNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-8(7-10)9-3-5-11(2)6-4-9/h3-6H,1-2H3.
What are the key properties of 2-(1-methyl-4-pyridinylidene)propanenitrile?
2-(1-methyl-4-pyridinylidene)propanenitrile has a molecular weight of 146.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-pyridinylidene)propanenitrile is sourced from PubChem (CID 15920787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).