(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile

C9H8N2 — CID 86757851

IUPAC(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile
SMILESCc1cc(/C=C\C#N)ccn1
InChIInChI=1S/C9H8N2/c1-8-7-9(3-2-5-10)4-6-11-8/h2-4,6-7H,1H3/b3-2-
InChIKeyCLXNUJZXNKYEKB-IHWYPQMZSA-N
MW144.18 g/mol
LogP1.93
Rot. Bonds1

About (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile

(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile (PubChem CID 86757851) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile
PubChem CID86757851
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile
SMILESCc1cc(/C=C\C#N)ccn1
InChIInChI=1S/C9H8N2/c1-8-7-9(3-2-5-10)4-6-11-8/h2-4,6-7H,1H3/b3-2-
InChIKeyCLXNUJZXNKYEKB-IHWYPQMZSA-N
XLogP1.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile (CID 86757851) is (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile is Cc1cc(/C=C\C#N)ccn1.
What is the InChIKey of (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile?
The InChIKey is CLXNUJZXNKYEKB-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H8N2/c1-8-7-9(3-2-5-10)4-6-11-8/h2-4,6-7H,1H3/b3-2-.
What are the key properties of (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile?
(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile has a molecular weight of 144.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 86757851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).