1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine

C15H24FN — CID 170173863

IUPAC1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine
SMILESC=C(C)C(F)CCCCN1C(=C)CC(C)C1=C
InChIInChI=1S/C15H24FN/c1-11(2)15(16)8-6-7-9-17-13(4)10-12(3)14(17)5/h12,15H,1,4-10H2,2-3H3
InChIKeyNXTBRARBLHXQRF-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.44
Rot. Bonds6

About 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine

1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine (PubChem CID 170173863) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine.

Molecular Properties

Compound Name1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine
PubChem CID170173863
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine
SMILESC=C(C)C(F)CCCCN1C(=C)CC(C)C1=C
InChIInChI=1S/C15H24FN/c1-11(2)15(16)8-6-7-9-17-13(4)10-12(3)14(17)5/h12,15H,1,4-10H2,2-3H3
InChIKeyNXTBRARBLHXQRF-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine?
The IUPAC name of 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine (CID 170173863) is 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine.
What is the SMILES notation for 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine?
The canonical SMILES for 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine is C=C(C)C(F)CCCCN1C(=C)CC(C)C1=C.
What is the InChIKey of 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine?
The InChIKey is NXTBRARBLHXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)15(16)8-6-7-9-17-13(4)10-12(3)14(17)5/h12,15H,1,4-10H2,2-3H3.
What are the key properties of 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine?
1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine has a molecular weight of 237.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methylhept-6-enyl)-3-methyl-2,5-dimethylidenepyrrolidine is sourced from PubChem (CID 170173863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).