fluoro 2-oxopyrrolidine-3-carboxylate

C5H6FNO3 — CID 145004845

IUPACfluoro 2-oxopyrrolidine-3-carboxylate
SMILESO=C1NCCC1C(=O)OF
InChIInChI=1S/C5H6FNO3/c6-10-5(9)3-1-2-7-4(3)8/h3H,1-2H2,(H,7,8)
InChIKeyJCVYZDUEFTZFMY-UHFFFAOYSA-N
MW147.10 g/mol
LogP-0.45
Rot. Bonds1

About fluoro 2-oxopyrrolidine-3-carboxylate

fluoro 2-oxopyrrolidine-3-carboxylate (PubChem CID 145004845) has the molecular formula C5H6FNO3 and a molecular weight of 147.10 g/mol. Its IUPAC name is fluoro 2-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namefluoro 2-oxopyrrolidine-3-carboxylate
PubChem CID145004845
Molecular FormulaC5H6FNO3
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Namefluoro 2-oxopyrrolidine-3-carboxylate
SMILESO=C1NCCC1C(=O)OF
InChIInChI=1S/C5H6FNO3/c6-10-5(9)3-1-2-7-4(3)8/h3H,1-2H2,(H,7,8)
InChIKeyJCVYZDUEFTZFMY-UHFFFAOYSA-N
XLogP-0.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
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 fluoro 2-oxopyrrolidine-3-carboxylate?
The IUPAC name of fluoro 2-oxopyrrolidine-3-carboxylate (CID 145004845) is fluoro 2-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for fluoro 2-oxopyrrolidine-3-carboxylate?
The canonical SMILES for fluoro 2-oxopyrrolidine-3-carboxylate is O=C1NCCC1C(=O)OF.
What is the InChIKey of fluoro 2-oxopyrrolidine-3-carboxylate?
The InChIKey is JCVYZDUEFTZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3/c6-10-5(9)3-1-2-7-4(3)8/h3H,1-2H2,(H,7,8).
What are the key properties of fluoro 2-oxopyrrolidine-3-carboxylate?
fluoro 2-oxopyrrolidine-3-carboxylate has a molecular weight of 147.10 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 145004845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).