(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one

C7H10FNO — CID 89318243

IUPAC(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(F)CCNC1=O
InChIInChI=1S/C7H10FNO/c1-2-3-7(8)4-5-9-6(7)10/h2H,1,3-5H2,(H,9,10)/t7-/m0/s1
InChIKeyPPBQPMOBTQOKMJ-ZETCQYMHSA-N
MW143.16 g/mol
LogP0.79
Rot. Bonds2

About (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one

(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one (PubChem CID 89318243) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one
PubChem CID89318243
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(F)CCNC1=O
InChIInChI=1S/C7H10FNO/c1-2-3-7(8)4-5-9-6(7)10/h2H,1,3-5H2,(H,9,10)/t7-/m0/s1
InChIKeyPPBQPMOBTQOKMJ-ZETCQYMHSA-N
XLogP0.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one (CID 89318243) is (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one is C=CC[C@]1(F)CCNC1=O.
What is the InChIKey of (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is PPBQPMOBTQOKMJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10FNO/c1-2-3-7(8)4-5-9-6(7)10/h2H,1,3-5H2,(H,9,10)/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one?
(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 143.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 89318243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).