3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine

C13H22FN — CID 164922204

IUPAC3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine
SMILESCC(C)/C=C1\CCCC1N1CCC(F)C1
InChIInChI=1S/C13H22FN/c1-10(2)8-11-4-3-5-13(11)15-7-6-12(14)9-15/h8,10,12-13H,3-7,9H2,1-2H3/b11-8+
InChIKeyFXQDHUMOYCXJCG-DHZHZOJOSA-N
MW211.32 g/mol
LogP3.17
Rot. Bonds2

About 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine

3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine (PubChem CID 164922204) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine
PubChem CID164922204
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine
SMILESCC(C)/C=C1\CCCC1N1CCC(F)C1
InChIInChI=1S/C13H22FN/c1-10(2)8-11-4-3-5-13(11)15-7-6-12(14)9-15/h8,10,12-13H,3-7,9H2,1-2H3/b11-8+
InChIKeyFXQDHUMOYCXJCG-DHZHZOJOSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
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 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine (CID 164922204) is 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine is CC(C)/C=C1\CCCC1N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine?
The InChIKey is FXQDHUMOYCXJCG-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H22FN/c1-10(2)8-11-4-3-5-13(11)15-7-6-12(14)9-15/h8,10,12-13H,3-7,9H2,1-2H3/b11-8+.
What are the key properties of 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine?
3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine has a molecular weight of 211.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine is sourced from PubChem (CID 164922204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).