1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol

C13H11NO — CID 50909041

IUPAC1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol
SMILESOC(C=Cc1cccnc1)=C1C=CC=C1
InChIInChI=1S/C13H11NO/c15-13(12-5-1-2-6-12)8-7-11-4-3-9-14-10-11/h1-10,15H
InChIKeyWPUBGKPVIJJSDD-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.03
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol

1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol (PubChem CID 50909041) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol
PubChem CID50909041
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol
SMILESOC(C=Cc1cccnc1)=C1C=CC=C1
InChIInChI=1S/C13H11NO/c15-13(12-5-1-2-6-12)8-7-11-4-3-9-14-10-11/h1-10,15H
InChIKeyWPUBGKPVIJJSDD-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
sodium (E)-3-pyridin-3-ylprop-2-enoate
CID 23685130
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
CID 131858610
CID 131858610
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
(E)-2,4-dioxo-6-pyridin-3-yl-3-[(E)-3-pyridin-3-ylprop-2-enoyl]hex-5-enal
CID 126510675

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol (CID 50909041) is 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol is OC(C=Cc1cccnc1)=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol?
The InChIKey is WPUBGKPVIJJSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-13(12-5-1-2-6-12)8-7-11-4-3-9-14-10-11/h1-10,15H.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol?
1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol has a molecular weight of 197.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 50909041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).