1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

C10H11NO4 — CID 2777280

IUPAC1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
InChIKeyNFWHHUCJMAPGHE-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.71
Rot. Bonds3

About 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2777280) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2777280
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
InChIKeyNFWHHUCJMAPGHE-UHFFFAOYSA-N
XLogP0.71
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2777280) is 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NFWHHUCJMAPGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2777280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).