4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine

C11H20FN — CID 164922213

IUPAC4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine
SMILESC/C(=C\C(C)C)C1CC(F)CN1C
InChIInChI=1S/C11H20FN/c1-8(2)5-9(3)11-6-10(12)7-13(11)4/h5,8,10-11H,6-7H2,1-4H3/b9-5+
InChIKeyXMWMSOLEVGECSB-WEVVVXLNSA-N
MW185.29 g/mol
LogP2.63
Rot. Bonds2

About 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine

4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine (PubChem CID 164922213) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine
PubChem CID164922213
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine
SMILESC/C(=C\C(C)C)C1CC(F)CN1C
InChIInChI=1S/C11H20FN/c1-8(2)5-9(3)11-6-10(12)7-13(11)4/h5,8,10-11H,6-7H2,1-4H3/b9-5+
InChIKeyXMWMSOLEVGECSB-WEVVVXLNSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.63
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 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine?
The IUPAC name of 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine (CID 164922213) is 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine?
The canonical SMILES for 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine is C/C(=C\C(C)C)C1CC(F)CN1C.
What is the InChIKey of 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine?
The InChIKey is XMWMSOLEVGECSB-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)5-9(3)11-6-10(12)7-13(11)4/h5,8,10-11H,6-7H2,1-4H3/b9-5+.
What are the key properties of 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine?
4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine has a molecular weight of 185.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 164922213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).