(2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile

C19H18N2 — CID 155002673

IUPAC(2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile
SMILESCN(C)c1ccccc1C(/C=C\C#N)=C/c1ccccc1
InChIInChI=1S/C19H18N2/c1-21(2)19-13-7-6-12-18(19)17(11-8-14-20)15-16-9-4-3-5-10-16/h3-13,15H,1-2H3/b11-8-,17-15+
InChIKeyAFNHMKDQNCYHPA-XYWKCAQWSA-N
MW274.37 g/mol
LogP4.37
Rot. Bonds4

About (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile

(2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile (PubChem CID 155002673) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile
PubChem CID155002673
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name(2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile
SMILESCN(C)c1ccccc1C(/C=C\C#N)=C/c1ccccc1
InChIInChI=1S/C19H18N2/c1-21(2)19-13-7-6-12-18(19)17(11-8-14-20)15-16-9-4-3-5-10-16/h3-13,15H,1-2H3/b11-8-,17-15+
InChIKeyAFNHMKDQNCYHPA-XYWKCAQWSA-N
XLogP4.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.37
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile (CID 155002673) is (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile is CN(C)c1ccccc1C(/C=C\C#N)=C/c1ccccc1.
What is the InChIKey of (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile?
The InChIKey is AFNHMKDQNCYHPA-XYWKCAQWSA-N. The full InChI is InChI=1S/C19H18N2/c1-21(2)19-13-7-6-12-18(19)17(11-8-14-20)15-16-9-4-3-5-10-16/h3-13,15H,1-2H3/b11-8-,17-15+.
What are the key properties of (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile?
(2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile has a molecular weight of 274.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-[2-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 155002673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).