(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide

C11H19FN2O — CID 120963311

IUPAC(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide
SMILESCC/C=C/CCN1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C11H19FN2O/c1-2-3-4-5-6-14-8-9(12)7-10(14)11(13)15/h3-4,9-10H,2,5-8H2,1H3,(H2,13,15)/b4-3+/t9-,10+/m1/s1
InChIKeyAWCZLFVHVJUANA-OKWQPMOJSA-N
MW214.28 g/mol
LogP1.24
Rot. Bonds5

About (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide (PubChem CID 120963311) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide
PubChem CID120963311
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide
SMILESCC/C=C/CCN1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C11H19FN2O/c1-2-3-4-5-6-14-8-9(12)7-10(14)11(13)15/h3-4,9-10H,2,5-8H2,1H3,(H2,13,15)/b4-3+/t9-,10+/m1/s1
InChIKeyAWCZLFVHVJUANA-OKWQPMOJSA-N
XLogP1.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide (CID 120963311) is (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide is CC/C=C/CCN1C[C@H](F)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide?
The InChIKey is AWCZLFVHVJUANA-OKWQPMOJSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-2-3-4-5-6-14-8-9(12)7-10(14)11(13)15/h3-4,9-10H,2,5-8H2,1H3,(H2,13,15)/b4-3+/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide has a molecular weight of 214.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120963311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).