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

C10H9NO5 — CID 43132068

IUPAC3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1C(=O)CCC1=O
InChIInChI=1S/C10H9NO5/c12-7-1-2-8(13)11(7)5-6-3-4-16-9(6)10(14)15/h3-4H,1-2,5H2,(H,14,15)
InChIKeyNDAJVQBOAILSAA-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.63
Rot. Bonds3

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

3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43132068) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID43132068
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1C(=O)CCC1=O
InChIInChI=1S/C10H9NO5/c12-7-1-2-8(13)11(7)5-6-3-4-16-9(6)10(14)15/h3-4H,1-2,5H2,(H,14,15)
InChIKeyNDAJVQBOAILSAA-UHFFFAOYSA-N
XLogP0.63
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid (CID 43132068) is 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CN1C(=O)CCC1=O.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is NDAJVQBOAILSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c12-7-1-2-8(13)11(7)5-6-3-4-16-9(6)10(14)15/h3-4H,1-2,5H2,(H,14,15).
What are the key properties of 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 223.18 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43132068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).