(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile

C14H15N — CID 153394347

IUPAC(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
SMILESC=C/C(C#N)=C\C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C14H15N/c1-6-14(10-15)9-13(5)12(4)8-7-11(2)3/h6-9H,1-2,4-5H2,3H3/b8-7-,14-9+
InChIKeyHACPJJQGCGBNRP-JEHBAHQJSA-N
MW197.28 g/mol
LogP3.87
Rot. Bonds5

About (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile

(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile (PubChem CID 153394347) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile.

Molecular Properties

Compound Name(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
PubChem CID153394347
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
SMILESC=C/C(C#N)=C\C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C14H15N/c1-6-14(10-15)9-13(5)12(4)8-7-11(2)3/h6-9H,1-2,4-5H2,3H3/b8-7-,14-9+
InChIKeyHACPJJQGCGBNRP-JEHBAHQJSA-N
XLogP3.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.87
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

2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(2E)-2-ethenyl-4-methylsulfonylpenta-2,4-dienenitrile
CID 122468637
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
(Z,2E)-2-ethylidene-5-methylidene-6-oxohept-3-enenitrile
CID 138502287
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 144813060
(2E,3Z)-5-methyl-2-(2-methylsulfinylethylidene)hexa-3,5-dienenitrile
CID 118910776
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile?
The IUPAC name of (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile (CID 153394347) is (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile.
What is the SMILES notation for (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile?
The canonical SMILES for (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile is C=C/C(C#N)=C\C(=C)C(=C)/C=C\C(=C)C.
What is the InChIKey of (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile?
The InChIKey is HACPJJQGCGBNRP-JEHBAHQJSA-N. The full InChI is InChI=1S/C14H15N/c1-6-14(10-15)9-13(5)12(4)8-7-11(2)3/h6-9H,1-2,4-5H2,3H3/b8-7-,14-9+.
What are the key properties of (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile?
(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile has a molecular weight of 197.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile is sourced from PubChem (CID 153394347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).