tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

C14H21NO2 — CID 72785032

IUPACtert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
SMILESC=CC1=CCC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-5-10-6-7-11-8-9-12(10)15(11)13(16)17-14(2,3)4/h5-6,11-12H,1,7-9H2,2-4H3
InChIKeyRYVDLVUVLYPESB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.27
Rot. Bonds1

About tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (PubChem CID 72785032) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
PubChem CID72785032
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
SMILESC=CC1=CCC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-5-10-6-7-11-8-9-12(10)15(11)13(16)17-14(2,3)4/h5-6,11-12H,1,7-9H2,2-4H3
InChIKeyRYVDLVUVLYPESB-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate with MolForge

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Related Compounds

Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 556818
Tert-butyl 9-azabicyclo[4.2.1]non-3-ene-9-carboxylate
CID 73001265
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 73040298
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
tert-butyl 2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine-1-carboxylate
CID 66695465
Tert-butyl 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 118008373
tert-butyl (1S,4R)-2-(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 153386764
tert-butyl (2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine-1-carboxylate
CID 166644787
Tert-butyl 2-(cyclopropen-1-yl)-3-fluoropyrrolidine-1-carboxylate
CID 167164802
Tert-butyl 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate;sulfanol
CID 168886457
tert-butyl (2S)-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 15201200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The IUPAC name of tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (CID 72785032) is tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The canonical SMILES for tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is C=CC1=CCC2CCC1N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The InChIKey is RYVDLVUVLYPESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10-6-7-11-8-9-12(10)15(11)13(16)17-14(2,3)4/h5-6,11-12H,1,7-9H2,2-4H3.
What are the key properties of tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is sourced from PubChem (CID 72785032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).