3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate

C9H10FNO3 — CID 139567730

IUPAC3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate
SMILESO=C(OCC#CF)C(=O)N1CCCC1
InChIInChI=1S/C9H10FNO3/c10-4-3-7-14-9(13)8(12)11-5-1-2-6-11/h1-2,5-7H2
InChIKeyWUTZJXCKERSNAB-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.08
Rot. Bonds1

About 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate

3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate (PubChem CID 139567730) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Name3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate
PubChem CID139567730
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate
SMILESO=C(OCC#CF)C(=O)N1CCCC1
InChIInChI=1S/C9H10FNO3/c10-4-3-7-14-9(13)8(12)11-5-1-2-6-11/h1-2,5-7H2
InChIKeyWUTZJXCKERSNAB-UHFFFAOYSA-N
XLogP0.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate?
The IUPAC name of 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate (CID 139567730) is 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate?
The canonical SMILES for 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate is O=C(OCC#CF)C(=O)N1CCCC1.
What is the InChIKey of 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate?
The InChIKey is WUTZJXCKERSNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-4-3-7-14-9(13)8(12)11-5-1-2-6-11/h1-2,5-7H2.
What are the key properties of 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate?
3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate has a molecular weight of 199.18 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-ynyl 2-oxo-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 139567730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).