1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C13H13N3O3 — CID 19350876

IUPAC1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(O)c(CN2CCC(C(N)=O)C2=O)c1
InChIInChI=1S/C13H13N3O3/c14-6-8-1-2-11(17)9(5-8)7-16-4-3-10(12(15)18)13(16)19/h1-2,5,10,17H,3-4,7H2,(H2,15,18)
InChIKeyAWGGMLNSCGOFLV-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.10
Rot. Bonds3

About 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 19350876) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID19350876
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(O)c(CN2CCC(C(N)=O)C2=O)c1
InChIInChI=1S/C13H13N3O3/c14-6-8-1-2-11(17)9(5-8)7-16-4-3-10(12(15)18)13(16)19/h1-2,5,10,17H,3-4,7H2,(H2,15,18)
InChIKeyAWGGMLNSCGOFLV-UHFFFAOYSA-N
XLogP0.10
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 19350876) is 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide is N#Cc1ccc(O)c(CN2CCC(C(N)=O)C2=O)c1.
What is the InChIKey of 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is AWGGMLNSCGOFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-6-8-1-2-11(17)9(5-8)7-16-4-3-10(12(15)18)13(16)19/h1-2,5,10,17H,3-4,7H2,(H2,15,18).
What are the key properties of 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 19350876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).