2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile

C10H11N3 — CID 5374324

IUPAC2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile
SMILESCN(C)/C=C/C=C/C=C(C#N)C#N
InChIInChI=1S/C10H11N3/c1-13(2)7-5-3-4-6-10(8-11)9-12/h3-7H,1-2H3/b4-3+,7-5+
InChIKeyIMSCTDUDAHUTIC-BDWKERMESA-N
MW173.22 g/mol
LogP1.59
Rot. Bonds3

About 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile

2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile (PubChem CID 5374324) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile
PubChem CID5374324
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile
SMILESCN(C)/C=C/C=C/C=C(C#N)C#N
InChIInChI=1S/C10H11N3/c1-13(2)7-5-3-4-6-10(8-11)9-12/h3-7H,1-2H3/b4-3+,7-5+
InChIKeyIMSCTDUDAHUTIC-BDWKERMESA-N
XLogP1.59
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile?
The IUPAC name of 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile (CID 5374324) is 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile.
What is the SMILES notation for 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile?
The canonical SMILES for 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile is CN(C)/C=C/C=C/C=C(C#N)C#N.
What is the InChIKey of 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile?
The InChIKey is IMSCTDUDAHUTIC-BDWKERMESA-N. The full InChI is InChI=1S/C10H11N3/c1-13(2)7-5-3-4-6-10(8-11)9-12/h3-7H,1-2H3/b4-3+,7-5+.
What are the key properties of 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile?
2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile has a molecular weight of 173.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile is sourced from PubChem (CID 5374324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).