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

C14H10ClNO — CID 10354441

IUPAC(E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO/c15-13-4-2-12(3-5-13)14(17)6-1-11-7-9-16-10-8-11/h1-10H/b6-1+
InChIKeyMLUDUTJZUKOFHA-LZCJLJQNSA-N
MW243.69 g/mol
LogP3.63
Rot. Bonds3

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

(E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 10354441) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one
PubChem CID10354441
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name(E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO/c15-13-4-2-12(3-5-13)14(17)6-1-11-7-9-16-10-8-11/h1-10H/b6-1+
InChIKeyMLUDUTJZUKOFHA-LZCJLJQNSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one (CID 10354441) is (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is MLUDUTJZUKOFHA-LZCJLJQNSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-13-4-2-12(3-5-13)14(17)6-1-11-7-9-16-10-8-11/h1-10H/b6-1+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one has a molecular weight of 243.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 10354441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).