1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

C17H17N3O4 — CID 135962711

IUPAC1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H17N3O4/c21-14-5-3-12(4-6-14)9-18-19-17(23)13-8-16(22)20(10-13)11-15-2-1-7-24-15/h1-7,9,13,21H,8,10-11H2,(H,19,23)/b18-9+
InChIKeyWQBXRXJWXBBITL-GIJQJNRQSA-N
MW327.34 g/mol
LogP1.48
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (PubChem CID 135962711) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
PubChem CID135962711
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H17N3O4/c21-14-5-3-12(4-6-14)9-18-19-17(23)13-8-16(22)20(10-13)11-15-2-1-7-24-15/h1-7,9,13,21H,8,10-11H2,(H,19,23)/b18-9+
InChIKeyWQBXRXJWXBBITL-GIJQJNRQSA-N
XLogP1.48
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17232929
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 135962710
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
1-(furan-2-ylmethyl)-5-oxo-N'-[(E)-3-phenylprop-2-enoyl]pyrrolidine-3-carbohydrazide
CID 17232588
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232652
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (CID 135962711) is 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WQBXRXJWXBBITL-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-14-5-3-12(4-6-14)9-18-19-17(23)13-8-16(22)20(10-13)11-15-2-1-7-24-15/h1-7,9,13,21H,8,10-11H2,(H,19,23)/b18-9+.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 135962711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).