2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine

C16H26FN — CID 145351260

IUPAC2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
SMILESC=C(F)/C=C\C(=C)C(C)CC1CCCN1C(C)C
InChIInChI=1S/C16H26FN/c1-12(2)18-10-6-7-16(18)11-14(4)13(3)8-9-15(5)17/h8-9,12,14,16H,3,5-7,10-11H2,1-2,4H3/b9-8-
InChIKeyLJRHOZVXOSYADP-HJWRWDBZSA-N
MW251.39 g/mol
LogP4.48
Rot. Bonds6

About 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine

2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine (PubChem CID 145351260) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
PubChem CID145351260
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
SMILESC=C(F)/C=C\C(=C)C(C)CC1CCCN1C(C)C
InChIInChI=1S/C16H26FN/c1-12(2)18-10-6-7-16(18)11-14(4)13(3)8-9-15(5)17/h8-9,12,14,16H,3,5-7,10-11H2,1-2,4H3/b9-8-
InChIKeyLJRHOZVXOSYADP-HJWRWDBZSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine (CID 145351260) is 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine is C=C(F)/C=C\C(=C)C(C)CC1CCCN1C(C)C.
What is the InChIKey of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine?
The InChIKey is LJRHOZVXOSYADP-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H26FN/c1-12(2)18-10-6-7-16(18)11-14(4)13(3)8-9-15(5)17/h8-9,12,14,16H,3,5-7,10-11H2,1-2,4H3/b9-8-.
What are the key properties of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine?
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine has a molecular weight of 251.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 145351260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).