3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid

C9H9NO4 — CID 83531251

IUPAC3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(c2ccco2)CCNC1=O
InChIInChI=1S/C9H9NO4/c11-7-9(8(12)13,3-4-10-7)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,10,11)(H,12,13)
InChIKeyAUIYLVLZHGPXGT-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.12
Rot. Bonds2

About 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid

3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 83531251) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID83531251
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(c2ccco2)CCNC1=O
InChIInChI=1S/C9H9NO4/c11-7-9(8(12)13,3-4-10-7)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,10,11)(H,12,13)
InChIKeyAUIYLVLZHGPXGT-UHFFFAOYSA-N
XLogP0.12
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid (CID 83531251) is 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid is O=C(O)C1(c2ccco2)CCNC1=O.
What is the InChIKey of 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is AUIYLVLZHGPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7-9(8(12)13,3-4-10-7)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,10,11)(H,12,13).
What are the key properties of 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid?
3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83531251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).