tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate

C15H26FNO2 — CID 146485986

IUPACtert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate
SMILESC=CCCC(F)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FNO2/c1-6-7-8-12(16)15(5)9-10-17(11-15)13(18)19-14(2,3)4/h6,12H,1,7-11H2,2-5H3/t12?,15-/m1/s1
InChIKeyFAUKWWPPTNXLEL-WPZCJLIBSA-N
MW271.38 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 146485986) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID146485986
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Nametert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate
SMILESC=CCCC(F)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FNO2/c1-6-7-8-12(16)15(5)9-10-17(11-15)13(18)19-14(2,3)4/h6,12H,1,7-11H2,2-5H3/t12?,15-/m1/s1
InChIKeyFAUKWWPPTNXLEL-WPZCJLIBSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146486000
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-pent-4-enylpyrrolidine-3-carboxylic acid
CID 79426257
tert-butyl 3-fluoro-3-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444608
4-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 53417926
tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 3-ethyl-3-hept-6-enoxypyrrolidine-1-carboxylate
CID 107007740
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
CID 124562501
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate (CID 146485986) is tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate is C=CCCC(F)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is FAUKWWPPTNXLEL-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H26FNO2/c1-6-7-8-12(16)15(5)9-10-17(11-15)13(18)19-14(2,3)4/h6,12H,1,7-11H2,2-5H3/t12?,15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 271.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(1-fluoropent-4-enyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 146485986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).