5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile

C12H10N2O2 — CID 15557434

IUPAC5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile
SMILESCC1=C(C#N)C(=O)NC1(O)c1ccccc1
InChIInChI=1S/C12H10N2O2/c1-8-10(7-13)11(15)14-12(8,16)9-5-3-2-4-6-9/h2-6,16H,1H3,(H,14,15)
InChIKeySZNCJDXUGGNTRO-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.80
Rot. Bonds1

About 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile

5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile (PubChem CID 15557434) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile
PubChem CID15557434
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile
SMILESCC1=C(C#N)C(=O)NC1(O)c1ccccc1
InChIInChI=1S/C12H10N2O2/c1-8-10(7-13)11(15)14-12(8,16)9-5-3-2-4-6-9/h2-6,16H,1H3,(H,14,15)
InChIKeySZNCJDXUGGNTRO-UHFFFAOYSA-N
XLogP0.80
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(4R,5R)-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
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(1S,4R,5R)-4-hydroxy-4-methyl-2-oxo-5-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
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3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one
CID 171980148
4,5,5-trimethyl-2-oxofuran-3-carbonitrile
CID 921316
(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione
CID 10641598
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile (CID 15557434) is 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile is CC1=C(C#N)C(=O)NC1(O)c1ccccc1.
What is the InChIKey of 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is SZNCJDXUGGNTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-10(7-13)11(15)14-12(8,16)9-5-3-2-4-6-9/h2-6,16H,1H3,(H,14,15).
What are the key properties of 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile?
5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15557434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).