3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene

C11H19NO — CID 58134966

IUPAC3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCCCC2)C1(C)C
InChIInChI=1S/C11H19NO/c1-9-10(2,3)11(13-12-9)7-5-4-6-8-11/h4-8H2,1-3H3
InChIKeyUTCSTDRTWHZROP-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds

About 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene

3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 58134966) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID58134966
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCCCC2)C1(C)C
InChIInChI=1S/C11H19NO/c1-9-10(2,3)11(13-12-9)7-5-4-6-8-11/h4-8H2,1-3H3
InChIKeyUTCSTDRTWHZROP-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,4-trimethyl-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-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 13296101
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
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
3,3a,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
3-Tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 58719601

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 58134966) is 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene is CC1=NOC2(CCCCC2)C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is UTCSTDRTWHZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-10(2,3)11(13-12-9)7-5-4-6-8-11/h4-8H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 181.28 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58134966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).