1,3-dipyridin-2-ylpent-2-en-1-one

C15H14N2O — CID 91328700

IUPAC1,3-dipyridin-2-ylpent-2-en-1-one
SMILESCCC(=CC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C15H14N2O/c1-2-12(13-7-3-5-9-16-13)11-15(18)14-8-4-6-10-17-14/h3-11H,2H2,1H3
InChIKeyLOICTCUMPFWBGG-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.15
Rot. Bonds4

About 1,3-dipyridin-2-ylpent-2-en-1-one

1,3-dipyridin-2-ylpent-2-en-1-one (PubChem CID 91328700) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3-dipyridin-2-ylpent-2-en-1-one.

Molecular Properties

Compound Name1,3-dipyridin-2-ylpent-2-en-1-one
PubChem CID91328700
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1,3-dipyridin-2-ylpent-2-en-1-one
SMILESCCC(=CC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C15H14N2O/c1-2-12(13-7-3-5-9-16-13)11-15(18)14-8-4-6-10-17-14/h3-11H,2H2,1H3
InChIKeyLOICTCUMPFWBGG-UHFFFAOYSA-N
XLogP3.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.15
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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Related Compounds

(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
1-hydroxy-1-pyridin-2-ylhex-1-en-3-one
CID 75107546
ethyl pyridine-2-carboxylate
CID 17307
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
dimethyl (5E)-2-methylidene-5-(2-oxo-2-pyridin-2-ylethylidene)hexanedioate
CID 177243949
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
lithium pyridine-2-carbonylazanide
CID 87752623
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-2-ylpent-2-en-1-one?
The IUPAC name of 1,3-dipyridin-2-ylpent-2-en-1-one (CID 91328700) is 1,3-dipyridin-2-ylpent-2-en-1-one.
What is the SMILES notation for 1,3-dipyridin-2-ylpent-2-en-1-one?
The canonical SMILES for 1,3-dipyridin-2-ylpent-2-en-1-one is CCC(=CC(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of 1,3-dipyridin-2-ylpent-2-en-1-one?
The InChIKey is LOICTCUMPFWBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-12(13-7-3-5-9-16-13)11-15(18)14-8-4-6-10-17-14/h3-11H,2H2,1H3.
What are the key properties of 1,3-dipyridin-2-ylpent-2-en-1-one?
1,3-dipyridin-2-ylpent-2-en-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-2-ylpent-2-en-1-one is sourced from PubChem (CID 91328700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).