(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one

C12H12N2O2 — CID 59320858

IUPAC(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one
SMILESCC(=O)/C(C)=C(\O)c1ccn2ccnc2c1
InChIInChI=1S/C12H12N2O2/c1-8(9(2)15)12(16)10-3-5-14-6-4-13-11(14)7-10/h3-7,16H,1-2H3/b12-8-
InChIKeyREZPUHPTWMYLRW-WQLSENKSSA-N
MW216.24 g/mol
LogP2.21
Rot. Bonds2

About (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one

(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one (PubChem CID 59320858) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one
PubChem CID59320858
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one
SMILESCC(=O)/C(C)=C(\O)c1ccn2ccnc2c1
InChIInChI=1S/C12H12N2O2/c1-8(9(2)15)12(16)10-3-5-14-6-4-13-11(14)7-10/h3-7,16H,1-2H3/b12-8-
InChIKeyREZPUHPTWMYLRW-WQLSENKSSA-N
XLogP2.21
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
CID 143707099
N-(2-imidazo[1,2-a]pyridin-7-yl-2-oxoethyl)acetamide
CID 59320836
1-imidazo[1,2-a]pyridin-7-ylbutan-1-one
CID 158316553
imidazo[1,2-a]pyridin-7-yl(pyrrolidin-1-yl)methanone
CID 118588718
N-(2-aminoethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 172844439
imidazo[1,2-a]pyridin-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97237862
(2S)-2-amino-3-imidazo[1,2-a]pyridin-7-ylpropanoic acid
CID 96765274
methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate
CID 175026463
N-(2-hydroxyethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 75390476
N-benzyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 75386321
(E)-3-[4-[(E)-1-imidazo[1,2-a]pyridin-7-yl-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 155561414
ethane;imidazo[1,2-a]pyridine-7-carbaldehyde
CID 156651569

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one (CID 59320858) is (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one is CC(=O)/C(C)=C(\O)c1ccn2ccnc2c1.
What is the InChIKey of (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one?
The InChIKey is REZPUHPTWMYLRW-WQLSENKSSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(9(2)15)12(16)10-3-5-14-6-4-13-11(14)7-10/h3-7,16H,1-2H3/b12-8-.
What are the key properties of (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one?
(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one is sourced from PubChem (CID 59320858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).