ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile

C9H12N2 — CID 176714944

IUPACethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
SMILESC=C(C#N)/C=C(\C)C#N.CC
InChIInChI=1S/C7H6N2.C2H6/c1-6(4-8)3-7(2)5-9;1-2/h3H,1H2,2H3;1-2H3/b7-3+;
InChIKeyARSRHTFVGUODCA-CDQVLDCRSA-N
MW148.21 g/mol
LogP2.56
Rot. Bonds1

About ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile

ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile (PubChem CID 176714944) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile.

Molecular Properties

Compound Nameethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
PubChem CID176714944
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Nameethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
SMILESC=C(C#N)/C=C(\C)C#N.CC
InChIInChI=1S/C7H6N2.C2H6/c1-6(4-8)3-7(2)5-9;1-2/h3H,1H2,2H3;1-2H3/b7-3+;
InChIKeyARSRHTFVGUODCA-CDQVLDCRSA-N
XLogP2.56
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile with MolForge

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

Launch Full Analysis

Related Compounds

ethane;(E)-2-methylbut-2-enenitrile
CID 143019003
(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
CID 123508505
(3E)-4-acetyl-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 142115713
(E)-2-methyl-4-oxopent-2-enenitrile
CID 143018586
formaldehyde;(3E)-4-methoxy-5-methyl-2-methylidenehexa-3,5-dienenitrile
CID 145007766
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
ethane;(2E,3E)-2-ethylidene-3-(2-methylprop-2-enylidene)butanedinitrile
CID 143322021
ethane;(2E,4Z)-2-methylhepta-2,4,6-trienenitrile
CID 143068886
(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile
CID 176677129
(2E,4Z)-4-ethyl-2-methylhepta-2,4,6-trienenitrile
CID 143284376
(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 144813060
potassium (E)-2-cyanoprop-1-en-1-olate
CID 59075416

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile?
The IUPAC name of ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile (CID 176714944) is ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile.
What is the SMILES notation for ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile?
The canonical SMILES for ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile is C=C(C#N)/C=C(\C)C#N.CC.
What is the InChIKey of ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile?
The InChIKey is ARSRHTFVGUODCA-CDQVLDCRSA-N. The full InChI is InChI=1S/C7H6N2.C2H6/c1-6(4-8)3-7(2)5-9;1-2/h3H,1H2,2H3;1-2H3/b7-3+;.
What are the key properties of ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile?
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile has a molecular weight of 148.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile is sourced from PubChem (CID 176714944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).