2-oxopyrrolidine-1-carbonyl fluoride

C5H6FNO2 — CID 135004141

IUPAC2-oxopyrrolidine-1-carbonyl fluoride
SMILESO=C(F)N1CCCC1=O
InChIInChI=1S/C5H6FNO2/c6-5(9)7-3-1-2-4(7)8/h1-3H2
InChIKeyKXAJBRDBJWOUMZ-UHFFFAOYSA-N
MW131.11 g/mol
LogP0.70
Rot. Bonds

About 2-oxopyrrolidine-1-carbonyl fluoride

2-oxopyrrolidine-1-carbonyl fluoride (PubChem CID 135004141) has the molecular formula C5H6FNO2 and a molecular weight of 131.11 g/mol. Its IUPAC name is 2-oxopyrrolidine-1-carbonyl fluoride.

Molecular Properties

Compound Name2-oxopyrrolidine-1-carbonyl fluoride
PubChem CID135004141
Molecular FormulaC5H6FNO2
Molecular Weight131.11 g/mol
Exact Mass131.04
IUPAC Name2-oxopyrrolidine-1-carbonyl fluoride
SMILESO=C(F)N1CCCC1=O
InChIInChI=1S/C5H6FNO2/c6-5(9)7-3-1-2-4(7)8/h1-3H2
InChIKeyKXAJBRDBJWOUMZ-UHFFFAOYSA-N
XLogP0.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxopyrrolidine-1-carbonyl fluoride?
The IUPAC name of 2-oxopyrrolidine-1-carbonyl fluoride (CID 135004141) is 2-oxopyrrolidine-1-carbonyl fluoride.
What is the SMILES notation for 2-oxopyrrolidine-1-carbonyl fluoride?
The canonical SMILES for 2-oxopyrrolidine-1-carbonyl fluoride is O=C(F)N1CCCC1=O.
What is the InChIKey of 2-oxopyrrolidine-1-carbonyl fluoride?
The InChIKey is KXAJBRDBJWOUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2/c6-5(9)7-3-1-2-4(7)8/h1-3H2.
What are the key properties of 2-oxopyrrolidine-1-carbonyl fluoride?
2-oxopyrrolidine-1-carbonyl fluoride has a molecular weight of 131.11 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopyrrolidine-1-carbonyl fluoride is sourced from PubChem (CID 135004141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).