5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid

C11H10N2O6 — CID 104607694

IUPAC5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
SMILESCN1C(=O)CC(NC(=O)c2cc(C(=O)O)co2)C1=O
InChIInChI=1S/C11H10N2O6/c1-13-8(14)3-6(10(13)16)12-9(15)7-2-5(4-19-7)11(17)18/h2,4,6H,3H2,1H3,(H,12,15)(H,17,18)
InChIKeyICWPDNRUCNNAAC-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.54
Rot. Bonds3

About 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid

5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607694) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607694
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
SMILESCN1C(=O)CC(NC(=O)c2cc(C(=O)O)co2)C1=O
InChIInChI=1S/C11H10N2O6/c1-13-8(14)3-6(10(13)16)12-9(15)7-2-5(4-19-7)11(17)18/h2,4,6H,3H2,1H3,(H,12,15)(H,17,18)
InChIKeyICWPDNRUCNNAAC-UHFFFAOYSA-N
XLogP-0.54
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoic acid
CID 23009320
5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
CID 104607507
5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
CID 104623373
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 81307054
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697239
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
CID 104607667
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 116656505
5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 107729779

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid (CID 104607694) is 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid is CN1C(=O)CC(NC(=O)c2cc(C(=O)O)co2)C1=O.
What is the InChIKey of 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is ICWPDNRUCNNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c1-13-8(14)3-6(10(13)16)12-9(15)7-2-5(4-19-7)11(17)18/h2,4,6H,3H2,1H3,(H,12,15)(H,17,18).
What are the key properties of 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid?
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 266.21 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).