2-ethenyl-4-methylpenta-2,4-dienenitrile

C8H9N — CID 123944173

IUPAC2-ethenyl-4-methylpenta-2,4-dienenitrile
SMILESC=CC(C#N)=CC(=C)C
InChIInChI=1S/C8H9N/c1-4-8(6-9)5-7(2)3/h4-5H,1-2H2,3H3
InChIKeySUIAXAASCYYNAB-UHFFFAOYSA-N
MW119.17 g/mol
LogP2.20
Rot. Bonds2

About 2-ethenyl-4-methylpenta-2,4-dienenitrile

2-ethenyl-4-methylpenta-2,4-dienenitrile (PubChem CID 123944173) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 2-ethenyl-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name2-ethenyl-4-methylpenta-2,4-dienenitrile
PubChem CID123944173
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name2-ethenyl-4-methylpenta-2,4-dienenitrile
SMILESC=CC(C#N)=CC(=C)C
InChIInChI=1S/C8H9N/c1-4-8(6-9)5-7(2)3/h4-5H,1-2H2,3H3
InChIKeySUIAXAASCYYNAB-UHFFFAOYSA-N
XLogP2.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-2-Methyl-2-pentenenitrile
CID 5352201
2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane
CID 616047
2-Pentenenitrile, 2-methyl-, (2Z)-
CID 5352199
(2E,4E,6E,9E)-trideca-2,4,6,9-tetraenenitrile
CID 57391169
(E)-2,4,4-trimethylpent-2-enenitrile
CID 15568612
8,8-Dicyanoheptafulvene
CID 319849
Lithium, (4-cyanophenyl)-
CID 12276954
(Z)-2-ethylhex-2-enenitrile
CID 117853578
1-Cyano-1,4-cyclopentadiene
CID 12156911
Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-
CID 605796
(2E,4E)-nona-2,4-dienenitrile
CID 87438300
(2Z,4E)-2,4-octadienenitrile
CID 13003675

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methylpenta-2,4-dienenitrile?
The IUPAC name of 2-ethenyl-4-methylpenta-2,4-dienenitrile (CID 123944173) is 2-ethenyl-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for 2-ethenyl-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for 2-ethenyl-4-methylpenta-2,4-dienenitrile is C=CC(C#N)=CC(=C)C.
What is the InChIKey of 2-ethenyl-4-methylpenta-2,4-dienenitrile?
The InChIKey is SUIAXAASCYYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-4-8(6-9)5-7(2)3/h4-5H,1-2H2,3H3.
What are the key properties of 2-ethenyl-4-methylpenta-2,4-dienenitrile?
2-ethenyl-4-methylpenta-2,4-dienenitrile has a molecular weight of 119.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 123944173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).