tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate

C14H24FNO2 — CID 146486000

IUPACtert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=CCCC(F)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H24FNO2/c1-5-6-7-12(15)11-8-9-16(10-11)13(17)18-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyBPZZUTOUHXXSSP-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.55
Rot. Bonds4

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

tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate (PubChem CID 146486000) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
PubChem CID146486000
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Nametert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=CCCC(F)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H24FNO2/c1-5-6-7-12(15)11-8-9-16(10-11)13(17)18-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyBPZZUTOUHXXSSP-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.55
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-aminopent-4-enyl)pyrrolidine-1-carboxylate
CID 107092458
tert-butyl 3-[1-(ethylamino)pent-4-enyl]pyrrolidine-1-carboxylate
CID 107092460
tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate
CID 115046306
tert-butyl (3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylate
CID 59536652
tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
CID 107092236
tert-butyl (3S)-3-pent-4-enoylpyrrolidine-1-carboxylate
CID 165468774
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl (3R)-3-(1,1-difluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146425699
tert-butyl 3-(1,1-difluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146425628
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate (CID 146486000) is tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate is C=CCCC(F)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate?
The InChIKey is BPZZUTOUHXXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-5-6-7-12(15)11-8-9-16(10-11)13(17)18-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate has a molecular weight of 257.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 146486000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).