(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one

C12H10N2O2 — CID 102045863

IUPAC(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1ccc[nH]1)c1ccccn1
InChIInChI=1S/C12H10N2O2/c15-11(9-4-1-2-6-13-9)8-12(16)10-5-3-7-14-10/h1-8,14,16H/b12-8-
InChIKeyQZTSDVGUHZOKMD-WQLSENKSSA-N
MW214.22 g/mol
LogP2.19
Rot. Bonds3

About (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one

(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one (PubChem CID 102045863) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
PubChem CID102045863
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1ccc[nH]1)c1ccccn1
InChIInChI=1S/C12H10N2O2/c15-11(9-4-1-2-6-13-9)8-12(16)10-5-3-7-14-10/h1-8,14,16H/b12-8-
InChIKeyQZTSDVGUHZOKMD-WQLSENKSSA-N
XLogP2.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
1,3-dipyridin-2-ylpent-2-en-1-one
CID 91328700
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-pyridin-2-yl-1H-pyrrole-2-carboxamide
CID 110691027
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
(Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-2-ylbut-3-en-2-one
CID 6917131
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one (CID 102045863) is (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one is O=C(/C=C(\O)c1ccc[nH]1)c1ccccn1.
What is the InChIKey of (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The InChIKey is QZTSDVGUHZOKMD-WQLSENKSSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11(9-4-1-2-6-13-9)8-12(16)10-5-3-7-14-10/h1-8,14,16H/b12-8-.
What are the key properties of (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one has a molecular weight of 214.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 102045863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).