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

C14H11NO2 — CID 6020915

IUPAC(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(O)c1)c1cccnc1
InChIInChI=1S/C14H11NO2/c16-13-5-1-3-11(9-13)6-7-14(17)12-4-2-8-15-10-12/h1-10,16H/b7-6+
InChIKeyYWQFCRRNTSUDQK-VOTSOKGWSA-N
MW225.25 g/mol
LogP2.68
Rot. Bonds3

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

(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 6020915) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID6020915
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(O)c1)c1cccnc1
InChIInChI=1S/C14H11NO2/c16-13-5-1-3-11(9-13)6-7-14(17)12-4-2-8-15-10-12/h1-10,16H/b7-6+
InChIKeyYWQFCRRNTSUDQK-VOTSOKGWSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
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-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one (CID 6020915) is (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccc(O)c1)c1cccnc1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is YWQFCRRNTSUDQK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-5-1-3-11(9-13)6-7-14(17)12-4-2-8-15-10-12/h1-10,16H/b7-6+.
What are the key properties of (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 225.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 6020915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).