(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile

C8H8N2 — CID 70614034

IUPAC(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile
SMILESCN1C=CC=C/C1=C\C#N
InChIInChI=1S/C8H8N2/c1-10-7-3-2-4-8(10)5-6-9/h2-5,7H,1H3/b8-5+
InChIKeyLYILUGMLXBGVOQ-VMPITWQZSA-N
MW132.17 g/mol
LogP1.41
Rot. Bonds

About (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile

(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile (PubChem CID 70614034) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile
PubChem CID70614034
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile
SMILESCN1C=CC=C/C1=C\C#N
InChIInChI=1S/C8H8N2/c1-10-7-3-2-4-8(10)5-6-9/h2-5,7H,1H3/b8-5+
InChIKeyLYILUGMLXBGVOQ-VMPITWQZSA-N
XLogP1.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.41
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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Related Compounds

(1-Difluoromethyl-1,2-dihydropyridin-2-ylidene)-acetonitrile
CID 86088594
2-(1-Allylpyridin-2(1 h)-ylidene)malononitrile
CID 124938326
2-(1-Methylpyridin-2-ylidene)propanedinitrile
CID 4139774
N-methyl-2-methylidenepyridine
CID 14963017
1-Cyano-4-dimethylaminopyridine
CID 17889658
(2Z)-3-fluoro-1-methyl-2-prop-2-enylidenepyridine
CID 88227504
2-(1-Ethyl-2-pyridinylidene)propanedinitrile
CID 13445527
2-Dicyanomethylene-1-vinyl-1,2-dihydropyridine
CID 129879288
6,6-Dicyano-1-dimethyl-aminohexatriene
CID 129880372
Malononitrile, 2-[2,3-bis(dimethylamino)prop-2-enylideno]-
CID 5363048
(2Z,4Z,6Z)-7-(dimethylamino)-2,4,6-heptatrienenitrile
CID 14086796
(2Z,4Z,6Z)-7-(diethylamino)hepta-2,4,6-trienenitrile
CID 14086799

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile?
The IUPAC name of (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile (CID 70614034) is (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile?
The canonical SMILES for (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile is CN1C=CC=C/C1=C\C#N.
What is the InChIKey of (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile?
The InChIKey is LYILUGMLXBGVOQ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-7-3-2-4-8(10)5-6-9/h2-5,7H,1H3/b8-5+.
What are the key properties of (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile?
(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-methyl-2-pyridinylidene)acetonitrile is sourced from PubChem (CID 70614034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).