tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate

C14H23NO2 — CID 130340834

IUPACtert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESC=CC1C2CCC1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H23NO2/c1-5-12-10-6-7-11(12)9-15(8-10)13(16)17-14(2,3)4/h5,10-12H,1,6-9H2,2-4H3
InChIKeyDKNURRISAPPERH-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate

tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 130340834) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID130340834
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESC=CC1C2CCC1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H23NO2/c1-5-12-10-6-7-11(12)9-15(8-10)13(16)17-14(2,3)4/h5,10-12H,1,6-9H2,2-4H3
InChIKeyDKNURRISAPPERH-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.07
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 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
3-O-tert-butyl 7-O-prop-2-enyl 9-amino-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 23569421
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 19955570
tert-butyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 22594529
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl 1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrole-2-carboxylate
CID 155725053
tert-butyl 8-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate;ethane;hydrochloride
CID 171703235
tert-butyl 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 83487964
tert-butyl 3-prop-2-enoxypyrrolidine-1-carboxylate;ethane
CID 145330639
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate (CID 130340834) is tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate is C=CC1C2CCC1CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is DKNURRISAPPERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12-10-6-7-11(12)9-15(8-10)13(16)17-14(2,3)4/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate?
tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 130340834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).