(E)-1,3-dipyridin-2-ylprop-2-en-1-one

C13H10N2O — CID 6474703

IUPAC(E)-1,3-dipyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O/c16-13(12-6-2-4-10-15-12)8-7-11-5-1-3-9-14-11/h1-10H/b8-7+
InChIKeyNQPQEIXQYLCOTE-BQYQJAHWSA-N
MW210.24 g/mol
LogP2.37
Rot. Bonds3

About (E)-1,3-dipyridin-2-ylprop-2-en-1-one

(E)-1,3-dipyridin-2-ylprop-2-en-1-one (PubChem CID 6474703) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-1,3-dipyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-dipyridin-2-ylprop-2-en-1-one
PubChem CID6474703
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name(E)-1,3-dipyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O/c16-13(12-6-2-4-10-15-12)8-7-11-5-1-3-9-14-11/h1-10H/b8-7+
InChIKeyNQPQEIXQYLCOTE-BQYQJAHWSA-N
XLogP2.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.37
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)-1,3-dipyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1,3-dipyridin-2-ylprop-2-en-1-one (CID 6474703) is (E)-1,3-dipyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1,3-dipyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1,3-dipyridin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccccn1)c1ccccn1.
What is the InChIKey of (E)-1,3-dipyridin-2-ylprop-2-en-1-one?
The InChIKey is NQPQEIXQYLCOTE-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13(12-6-2-4-10-15-12)8-7-11-5-1-3-9-14-11/h1-10H/b8-7+.
What are the key properties of (E)-1,3-dipyridin-2-ylprop-2-en-1-one?
(E)-1,3-dipyridin-2-ylprop-2-en-1-one has a molecular weight of 210.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dipyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 6474703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).