tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate

C15H25NO2 — CID 135000914

IUPACtert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCCC12CC=CC2
InChIInChI=1S/C15H25NO2/c1-14(2,3)18-13(17)16-12-8-4-5-9-15(16)10-6-7-11-15/h6-7H,4-5,8-12H2,1-3H3
InChIKeyWIYVLQNCWWUFNS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.89
Rot. Bonds

About tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate

tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate (PubChem CID 135000914) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate
PubChem CID135000914
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCCC12CC=CC2
InChIInChI=1S/C15H25NO2/c1-14(2,3)18-13(17)16-12-8-4-5-9-15(16)10-6-7-11-15/h6-7H,4-5,8-12H2,1-3H3
InChIKeyWIYVLQNCWWUFNS-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.89
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 6-azaspiro[4.5]dec-2-ene-6-carboxylate
CID 12115262
1,1-Dimethylethyl 1-azaspiro(4.4)non-7-ene-1-carboxylate
CID 25156044
Tert-butyl 6-azaspiro[4.12]heptadec-2-ene-6-carboxylate
CID 134999460
Tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate
CID 162400223
Tert-butyl 1-azaspiro[4.5]dec-3-ene-1-carboxylate
CID 140408566
tert-butyl (2S,5Z)-5-ethylidene-2,3,4-trimethylazepane-1-carboxylate
CID 174101363
tert-butyl (5R)-8-methyl-1-azaspiro[4.4]non-8-ene-1-carboxylate
CID 11276438
tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate
CID 25112313
Tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate
CID 102008634
Tert-butyl 1-azaspiro[5.5]undec-3-ene-1-carboxylate
CID 102008635
Tert-butyl 7-prop-2-enyl-8-azaspiro[5.6]dodec-3-ene-8-carboxylate
CID 102374960
tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate
CID 102430387

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate?
The IUPAC name of tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate (CID 135000914) is tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate.
What is the SMILES notation for tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate?
The canonical SMILES for tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate is CC(C)(C)OC(=O)N1CCCCCC12CC=CC2.
What is the InChIKey of tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate?
The InChIKey is WIYVLQNCWWUFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)18-13(17)16-12-8-4-5-9-15(16)10-6-7-11-15/h6-7H,4-5,8-12H2,1-3H3.
What are the key properties of tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate?
tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-azaspiro[4.6]undec-2-ene-6-carboxylate is sourced from PubChem (CID 135000914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).