(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one

C13H11NO — CID 102284803

IUPAC(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/C1C=CC=C1)c1ccccn1
InChIInChI=1S/C13H11NO/c15-13(12-7-3-4-10-14-12)9-8-11-5-1-2-6-11/h1-11H/b9-8+
InChIKeyMRECSWGVKJCQRT-CMDGGOBGSA-N
MW197.24 g/mol
LogP2.56
Rot. Bonds3

About (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one

(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 102284803) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
PubChem CID102284803
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/C1C=CC=C1)c1ccccn1
InChIInChI=1S/C13H11NO/c15-13(12-7-3-4-10-14-12)9-8-11-5-1-2-6-11/h1-11H/b9-8+
InChIKeyMRECSWGVKJCQRT-CMDGGOBGSA-N
XLogP2.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.56
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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Related Compounds

(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
(E)-3-(3,4-dihydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 137079315
(E)-3-(2-chloroquinolin-3-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 52952841
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939
(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 99927331
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
(E)-3-(2-methylpropylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 23591196
4-(dimethylhydrazinylidene)-1-pyridin-2-ylpent-2-en-1-one
CID 131885432
gadolinium;pyridine-2-carboxylic acid
CID 175231422
3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
CID 67799567

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one (CID 102284803) is (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one is O=C(/C=C/C1C=CC=C1)c1ccccn1.
What is the InChIKey of (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is MRECSWGVKJCQRT-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H11NO/c15-13(12-7-3-4-10-14-12)9-8-11-5-1-2-6-11/h1-11H/b9-8+.
What are the key properties of (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one?
(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 197.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 102284803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).