(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one

C9H14FNO — CID 167119665

IUPAC(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one
SMILESC/C=C/C1(F)C[C@H](CC)NC1=O
InChIInChI=1S/C9H14FNO/c1-3-5-9(10)6-7(4-2)11-8(9)12/h3,5,7H,4,6H2,1-2H3,(H,11,12)/b5-3+/t7-,9?/m0/s1
InChIKeyFZIJJSFUXMQCFS-HPDSPDRFSA-N
MW171.22 g/mol
LogP1.57
Rot. Bonds2

About (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one

(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one (PubChem CID 167119665) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one
PubChem CID167119665
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one
SMILESC/C=C/C1(F)C[C@H](CC)NC1=O
InChIInChI=1S/C9H14FNO/c1-3-5-9(10)6-7(4-2)11-8(9)12/h3,5,7H,4,6H2,1-2H3,(H,11,12)/b5-3+/t7-,9?/m0/s1
InChIKeyFZIJJSFUXMQCFS-HPDSPDRFSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.57
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 (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one (CID 167119665) is (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one is C/C=C/C1(F)C[C@H](CC)NC1=O.
What is the InChIKey of (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one?
The InChIKey is FZIJJSFUXMQCFS-HPDSPDRFSA-N. The full InChI is InChI=1S/C9H14FNO/c1-3-5-9(10)6-7(4-2)11-8(9)12/h3,5,7H,4,6H2,1-2H3,(H,11,12)/b5-3+/t7-,9?/m0/s1.
What are the key properties of (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one?
(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one has a molecular weight of 171.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 167119665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).