(E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one

C16H15FN2O — CID 59897303

IUPAC(E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCN(C)/C=C(/C(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-19(2)11-15(12-3-5-14(17)6-4-12)16(20)13-7-9-18-10-8-13/h3-11H,1-2H3/b15-11+
InChIKeyIVCPHVGIOAHVNK-RVDMUPIBSA-N
MW270.31 g/mol
LogP3.01
Rot. Bonds4

About (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one

(E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 59897303) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one
PubChem CID59897303
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCN(C)/C=C(/C(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-19(2)11-15(12-3-5-14(17)6-4-12)16(20)13-7-9-18-10-8-13/h3-11H,1-2H3/b15-11+
InChIKeyIVCPHVGIOAHVNK-RVDMUPIBSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one (CID 59897303) is (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one is CN(C)/C=C(/C(=O)c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is IVCPHVGIOAHVNK-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19(2)11-15(12-3-5-14(17)6-4-12)16(20)13-7-9-18-10-8-13/h3-11H,1-2H3/b15-11+.
What are the key properties of (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 270.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 59897303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).