5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide

C13H12N2O4 — CID 168698429

IUPAC5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc3c2COC3=O)C1
InChIInChI=1S/C13H12N2O4/c14-12(17)7-4-11(16)15(5-7)10-3-1-2-8-9(10)6-19-13(8)18/h1-3,7H,4-6H2,(H2,14,17)
InChIKeyHGPYAZICYAZWLM-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.20
Rot. Bonds2

About 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide

5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide (PubChem CID 168698429) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
PubChem CID168698429
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc3c2COC3=O)C1
InChIInChI=1S/C13H12N2O4/c14-12(17)7-4-11(16)15(5-7)10-3-1-2-8-9(10)6-19-13(8)18/h1-3,7H,4-6H2,(H2,14,17)
InChIKeyHGPYAZICYAZWLM-UHFFFAOYSA-N
XLogP0.20
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one
CID 168689844
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
[5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683193
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698399
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94671849
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide (CID 168698429) is 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccc3c2COC3=O)C1.
What is the InChIKey of 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HGPYAZICYAZWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c14-12(17)7-4-11(16)15(5-7)10-3-1-2-8-9(10)6-19-13(8)18/h1-3,7H,4-6H2,(H2,14,17).
What are the key properties of 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168698429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).