3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene

C12H21NO — CID 13296101

IUPAC3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1=NOC2(CCCCC2)C1
InChIInChI=1S/C12H21NO/c1-11(2,3)10-9-12(14-13-10)7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyDISPPZREJPGFCU-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.51
Rot. Bonds

About 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene

3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 13296101) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID13296101
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1=NOC2(CCCCC2)C1
InChIInChI=1S/C12H21NO/c1-11(2,3)10-9-12(14-13-10)7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyDISPPZREJPGFCU-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Tert-butyl-8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 169041604
8-Fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 170219147
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.4]non-2-ene
CID 13694196
3-Methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 20644758
3-Methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
CID 20644760
8-Tert-butyl-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 57742210
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene
CID 58134888
3,3a,7a-Trimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 58134895
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 58134966
3,3a,8a-trimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole
CID 58134969
4,4,5,5-Tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
CID 58361828
3,8-Dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 58433206

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 13296101) is 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene is CC(C)(C)C1=NOC2(CCCCC2)C1.
What is the InChIKey of 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is DISPPZREJPGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2,3)10-9-12(14-13-10)7-5-4-6-8-12/h4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 195.31 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 13296101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).