N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H14N2O3 — CID 115338810

IUPACN-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)C2)ccc1O
InChIInChI=1S/C12H14N2O3/c1-7-4-9(2-3-10(7)15)14-12(17)8-5-11(16)13-6-8/h2-4,8,15H,5-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyZHZSGIJVPLDKIH-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.78
Rot. Bonds2

About N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 115338810) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID115338810
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)C2)ccc1O
InChIInChI=1S/C12H14N2O3/c1-7-4-9(2-3-10(7)15)14-12(17)8-5-11(16)13-6-8/h2-4,8,15H,5-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyZHZSGIJVPLDKIH-UHFFFAOYSA-N
XLogP0.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 115338810) is N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CNC(=O)C2)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHZSGIJVPLDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-9(2-3-10(7)15)14-12(17)8-5-11(16)13-6-8/h2-4,8,15H,5-6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115338810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).