(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one

C19H19NO — CID 14437145

IUPAC(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one
SMILESCN(C)c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-20(2)18-12-8-17(9-13-18)11-15-19(21)14-10-16-6-4-3-5-7-16/h3-15H,1-2H3/b14-10+,15-11+
InChIKeyDZVMHKBMAWOMKU-WFYKWJGLSA-N
MW277.37 g/mol
LogP4.05
Rot. Bonds5

About (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one (PubChem CID 14437145) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one
PubChem CID14437145
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one
SMILESCN(C)c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-20(2)18-12-8-17(9-13-18)11-15-19(21)14-10-16-6-4-3-5-7-16/h3-15H,1-2H3/b14-10+,15-11+
InChIKeyDZVMHKBMAWOMKU-WFYKWJGLSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one (CID 14437145) is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one is CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one?
The InChIKey is DZVMHKBMAWOMKU-WFYKWJGLSA-N. The full InChI is InChI=1S/C19H19NO/c1-20(2)18-12-8-17(9-13-18)11-15-19(21)14-10-16-6-4-3-5-7-16/h3-15H,1-2H3/b14-10+,15-11+.
What are the key properties of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one?
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one has a molecular weight of 277.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 14437145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).