(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide

C9H15FN2O — CID 130835191

IUPAC(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide
SMILESC=CC(C)NC(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C9H15FN2O/c1-3-6(2)12-9(13)8-4-7(10)5-11-8/h3,6-8,11H,1,4-5H2,2H3,(H,12,13)/t6?,7-,8+/m0/s1
InChIKeyVQIDTGJCVYOAGG-ZHFSPANRSA-N
MW186.23 g/mol
LogP0.38
Rot. Bonds3

About (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide

(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 130835191) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide
PubChem CID130835191
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide
SMILESC=CC(C)NC(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C9H15FN2O/c1-3-6(2)12-9(13)8-4-7(10)5-11-8/h3,6-8,11H,1,4-5H2,2H3,(H,12,13)/t6?,7-,8+/m0/s1
InChIKeyVQIDTGJCVYOAGG-ZHFSPANRSA-N
XLogP0.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123608838
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CID 123761251
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CID 153350983
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CID 15991840
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CID 110343829
CID 110343829

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide (CID 130835191) is (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide is C=CC(C)NC(=O)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is VQIDTGJCVYOAGG-ZHFSPANRSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-3-6(2)12-9(13)8-4-7(10)5-11-8/h3,6-8,11H,1,4-5H2,2H3,(H,12,13)/t6?,7-,8+/m0/s1.
What are the key properties of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide?
(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 130835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).