5-fluoro-1-prop-2-enoylpyrrolidin-2-one

C7H8FNO2 — CID 58165431

IUPAC5-fluoro-1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1C(=O)CCC1F
InChIInChI=1S/C7H8FNO2/c1-2-6(10)9-5(8)3-4-7(9)11/h2,5H,1,3-4H2
InChIKeyQWXHNAFKWYEGKQ-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.62
Rot. Bonds1

About 5-fluoro-1-prop-2-enoylpyrrolidin-2-one

5-fluoro-1-prop-2-enoylpyrrolidin-2-one (PubChem CID 58165431) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 5-fluoro-1-prop-2-enoylpyrrolidin-2-one.

Molecular Properties

Compound Name5-fluoro-1-prop-2-enoylpyrrolidin-2-one
PubChem CID58165431
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name5-fluoro-1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1C(=O)CCC1F
InChIInChI=1S/C7H8FNO2/c1-2-6(10)9-5(8)3-4-7(9)11/h2,5H,1,3-4H2
InChIKeyQWXHNAFKWYEGKQ-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-prop-2-enoylpyrrolidin-2-one?
The IUPAC name of 5-fluoro-1-prop-2-enoylpyrrolidin-2-one (CID 58165431) is 5-fluoro-1-prop-2-enoylpyrrolidin-2-one.
What is the SMILES notation for 5-fluoro-1-prop-2-enoylpyrrolidin-2-one?
The canonical SMILES for 5-fluoro-1-prop-2-enoylpyrrolidin-2-one is C=CC(=O)N1C(=O)CCC1F.
What is the InChIKey of 5-fluoro-1-prop-2-enoylpyrrolidin-2-one?
The InChIKey is QWXHNAFKWYEGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-2-6(10)9-5(8)3-4-7(9)11/h2,5H,1,3-4H2.
What are the key properties of 5-fluoro-1-prop-2-enoylpyrrolidin-2-one?
5-fluoro-1-prop-2-enoylpyrrolidin-2-one has a molecular weight of 157.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-prop-2-enoylpyrrolidin-2-one is sourced from PubChem (CID 58165431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).