(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one

C14H11NO — CID 5355549

IUPAC(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cccnc1
InChIInChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
InChIKeyPINRHPDVUJVFDC-CMDGGOBGSA-N
MW209.25 g/mol
LogP2.98
Rot. Bonds3

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

(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 5355549) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one
PubChem CID5355549
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cccnc1
InChIInChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
InChIKeyPINRHPDVUJVFDC-CMDGGOBGSA-N
XLogP2.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.98
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)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one (CID 5355549) is (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is PINRHPDVUJVFDC-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+.
What are the key properties of (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 5355549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).