tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate

C14H23NO2 — CID 11042768

IUPACtert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate
SMILESC=C/C1=C/CCCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-5-12-10-8-6-7-9-11-15(12)13(16)17-14(2,3)4/h5,10H,1,6-9,11H2,2-4H3/b12-10-
InChIKeyKNKRYUDLSAELBC-BENRWUELSA-N
MW237.34 g/mol
LogP3.87
Rot. Bonds1

About tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate

tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate (PubChem CID 11042768) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate
PubChem CID11042768
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate
SMILESC=C/C1=C/CCCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-5-12-10-8-6-7-9-11-15(12)13(16)17-14(2,3)4/h5,10H,1,6-9,11H2,2-4H3/b12-10-
InChIKeyKNKRYUDLSAELBC-BENRWUELSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate?
The IUPAC name of tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate (CID 11042768) is tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate.
What is the SMILES notation for tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate?
The canonical SMILES for tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate is C=C/C1=C/CCCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate?
The InChIKey is KNKRYUDLSAELBC-BENRWUELSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12-10-8-6-7-9-11-15(12)13(16)17-14(2,3)4/h5,10H,1,6-9,11H2,2-4H3/b12-10-.
What are the key properties of tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate?
tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate is sourced from PubChem (CID 11042768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).