2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile

C9H8N2 — CID 14869778

IUPAC2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile
SMILESC/C=C/C=C/C=C(C#N)C#N
InChIInChI=1S/C9H8N2/c1-2-3-4-5-6-9(7-10)8-11/h2-6H,1H3/b3-2+,5-4+
InChIKeyOABFQXSDBOEBKP-MQQKCMAXSA-N
MW144.18 g/mol
LogP2.09
Rot. Bonds2

About 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile

2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile (PubChem CID 14869778) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile
PubChem CID14869778
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile
SMILESC/C=C/C=C/C=C(C#N)C#N
InChIInChI=1S/C9H8N2/c1-2-3-4-5-6-9(7-10)8-11/h2-6H,1H3/b3-2+,5-4+
InChIKeyOABFQXSDBOEBKP-MQQKCMAXSA-N
XLogP2.09
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.09
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'}

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Related Compounds

Dicyanobutadiene
CID 18364589
Acrylonitrile methacrylonitrile
CID 18690484
Butadiene-methacrylonitrile
CID 22034628
(2E)-2-methylpenta-2,4-dienenitrile
CID 134981866
(2Z)-2-methylpenta-2,4-dienenitrile
CID 134995317
Penta-1,3-diene;prop-2-enenitrile
CID 160626011
(2Z,4Z,6E)-3,7-difluoro-2-methylocta-2,4,6-trienenitrile
CID 130370171
(2Z,4E,6Z)-3,5-difluoro-2-methylocta-2,4,6-trienenitrile
CID 145503958
(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile
CID 146550376
(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
CID 146551316
(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile
CID 146562761
(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dienenitrile
CID 169564630

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile?
The IUPAC name of 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile (CID 14869778) is 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile.
What is the SMILES notation for 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile?
The canonical SMILES for 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile is C/C=C/C=C/C=C(C#N)C#N.
What is the InChIKey of 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile?
The InChIKey is OABFQXSDBOEBKP-MQQKCMAXSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-3-4-5-6-9(7-10)8-11/h2-6H,1H3/b3-2+,5-4+.
What are the key properties of 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile?
2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile has a molecular weight of 144.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-hexa-2,4-dienylidene]propanedinitrile is sourced from PubChem (CID 14869778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).