N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide

C12H12N2O3 — CID 87986602

IUPACN-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NO)=CC2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-8-2-4-10(5-3-8)14-7-9(6-11(14)15)12(16)13-17/h2-6,17H,7H2,1H3,(H,13,16)
InChIKeyXSDCKLSGMYSYBL-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.77
Rot. Bonds2

About N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide

N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 87986602) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID87986602
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NO)=CC2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-8-2-4-10(5-3-8)14-7-9(6-11(14)15)12(16)13-17/h2-6,17H,7H2,1H3,(H,13,16)
InChIKeyXSDCKLSGMYSYBL-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 167496061
3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 848849
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
N-hydroxy-4-[[(2R)-2-methyl-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]benzamide
CID 88849472
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115067682
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
3-(4-methylphenyl)-1,3-selenazolidin-2-one
CID 102032359
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide (CID 87986602) is N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide is Cc1ccc(N2CC(C(=O)NO)=CC2=O)cc1.
What is the InChIKey of N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is XSDCKLSGMYSYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-2-4-10(5-3-8)14-7-9(6-11(14)15)12(16)13-17/h2-6,17H,7H2,1H3,(H,13,16).
What are the key properties of N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide?
N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 87986602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).