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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Related Compounds

(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
3-[(1E,3Z,5Z)-3-(1-fluoroethyl)hepta-1,3,5-trienyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 89022338
N-(7-cyclobutyl-3-ethenyl-1,1-difluoronona-4,6-dien-2-yl)-N,5-diethylcyclohept-3-en-1-amine
CID 91475343
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
2-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine
CID 134386445
3-(4-Ethyl-2-fluorocyclohepta-2,4-dien-1-yl)-1-(1-methylcyclobutyl)pyrrolidine
CID 134591601
1-[2-methyl-4-(2,3,4,9-tetrahydro-1H-benzo[7]annulen-7-yl)butyl]-2-(trifluoromethyl)pyrrolidine
CID 135225529
1-butyl-2-[(1Z,4E,6E)-4-ethenyl-6-(2-fluoropropan-2-yl)-3-methylideneocta-1,4,6-trienyl]-3-methylpyrrolidine
CID 137399870
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773
8-[(2S)-3-[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]-2-methylpropyl]-3-pentyl-8-azabicyclo[3.2.1]octane
CID 141149170
8-[(2S)-3-[(1R)-cyclohexa-2,4-dien-1-yl]-2-methylpropyl]-6-fluoro-3-pentyl-8-azabicyclo[3.2.1]octane
CID 141149187
3-butyl-8-[(2S)-3-[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]-2-methylpropyl]-8-azabicyclo[3.2.1]octane
CID 141149189

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).