(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine

C9H14N2 — CID 143876446

IUPAC(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
SMILESC=C/C(C#N)=C\C(=C)C.CN
InChIInChI=1S/C8H9N.CH5N/c1-4-8(6-9)5-7(2)3;1-2/h4-5H,1-2H2,3H3;2H2,1H3/b8-5+;
InChIKeyJRMWJRAGFZCWIO-HAAWTFQLSA-N
MW150.22 g/mol
LogP1.77
Rot. Bonds2

About (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine

(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine (PubChem CID 143876446) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine.

Molecular Properties

Compound Name(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
PubChem CID143876446
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
SMILESC=C/C(C#N)=C\C(=C)C.CN
InChIInChI=1S/C8H9N.CH5N/c1-4-8(6-9)5-7(2)3;1-2/h4-5H,1-2H2,3H3;2H2,1H3/b8-5+;
InChIKeyJRMWJRAGFZCWIO-HAAWTFQLSA-N
XLogP1.77
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(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 (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine?
The IUPAC name of (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine (CID 143876446) is (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine.
What is the SMILES notation for (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine?
The canonical SMILES for (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine is C=C/C(C#N)=C\C(=C)C.CN.
What is the InChIKey of (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine?
The InChIKey is JRMWJRAGFZCWIO-HAAWTFQLSA-N. The full InChI is InChI=1S/C8H9N.CH5N/c1-4-8(6-9)5-7(2)3;1-2/h4-5H,1-2H2,3H3;2H2,1H3/b8-5+;.
What are the key properties of (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine?
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine has a molecular weight of 150.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine is sourced from PubChem (CID 143876446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).