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

(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446
(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
CID 153394347
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
(2E)-2-ethenyl-4-methylsulfonylpenta-2,4-dienenitrile
CID 122468637
(2Z)-2-(chloromethylidene)but-3-enenitrile
CID 14047701
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile
CID 166951005
3-[(3E)-3-ethenyl-5-methylhexa-3,5-dien-1-ynyl]benzonitrile
CID 88893060
ethane;(2E,3E)-2-ethylidene-3-(2-methylprop-2-enylidene)butanedinitrile
CID 143322021
2-methoxy-4-methylpenta-2,4-dienenitrile
CID 54546329
formonitrile;2-methylbuta-1,3-diene
CID 159945395
N-[(2E,4E)-5-cyanohepta-2,4,6-trien-2-yl]formamide
CID 163488499

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).