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

C9H16ClFN2O — CID 130835190

IUPAC(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESC=CC(C)NC(=O)[C@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C9H15FN2O.ClH/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);1H/t6?,7-,8+;/m0./s1
InChIKeyZCRPRRYTPJPTOH-UJXVHCJJSA-N
MW222.69 g/mol
LogP0.80
Rot. Bonds3

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

(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130835190) has the molecular formula C9H16ClFN2O and a molecular weight of 222.69 g/mol. Its IUPAC name is (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID130835190
Molecular FormulaC9H16ClFN2O
Molecular Weight222.69 g/mol
Exact Mass222.09
IUPAC Name(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESC=CC(C)NC(=O)[C@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C9H15FN2O.ClH/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);1H/t6?,7-,8+;/m0./s1
InChIKeyZCRPRRYTPJPTOH-UJXVHCJJSA-N
XLogP0.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 50.80
H-Bond Donors ≤ 52
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 (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride (CID 130835190) is (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride is C=CC(C)NC(=O)[C@H]1C[C@H](F)CN1.Cl.
What is the InChIKey of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZCRPRRYTPJPTOH-UJXVHCJJSA-N. The full InChI is InChI=1S/C9H15FN2O.ClH/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);1H/t6?,7-,8+;/m0./s1.
What are the key properties of (2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 222.69 g/mol, XLogP of 0.80, 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;hydrochloride is sourced from PubChem (CID 130835190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).