tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate

C12H19NO2 — CID 122163681

IUPACtert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC12CCC2
InChIInChI=1S/C12H19NO2/c1-11(2,3)15-10(14)13-9-5-8-12(13)6-4-7-12/h5,8H,4,6-7,9H2,1-3H3
InChIKeyWXVRXFBFOUAZMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.72
Rot. Bonds

About tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate

tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate (PubChem CID 122163681) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate
PubChem CID122163681
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nametert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC12CCC2
InChIInChI=1S/C12H19NO2/c1-11(2,3)15-10(14)13-9-5-8-12(13)6-4-7-12/h5,8H,4,6-7,9H2,1-3H3
InChIKeyWXVRXFBFOUAZMD-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.72
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

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CID 137943158
Tert-butyl 1-azaspiro[3.4]oct-6-ene-1-carboxylate
CID 25155002
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
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CID 15201200
Tert-butyl 2-butyl-2,5-dihydropyrrole-1-carboxylate
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tert-butyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 10399613
tert-butyl 2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72996213
tert-butyl (6Z)-1-azacycloundec-6-ene-1-carboxylate
CID 101724569
tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
CID 135043965
tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038
tert-butyl 2-[(E)-hex-1-enyl]pyrrolidine-1-carboxylate
CID 12013714
tert-butyl 2-[(E)-but-1-enyl]pyrrolidine-1-carboxylate
CID 131241143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate?
The IUPAC name of tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate (CID 122163681) is tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate.
What is the SMILES notation for tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate?
The canonical SMILES for tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate is CC(C)(C)OC(=O)N1CC=CC12CCC2.
What is the InChIKey of tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate?
The InChIKey is WXVRXFBFOUAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2,3)15-10(14)13-9-5-8-12(13)6-4-7-12/h5,8H,4,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate?
tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate is sourced from PubChem (CID 122163681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).