3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene

C8H13NO — CID 123672305

IUPAC3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene
SMILESCC1=CC2(CCCC2)ON1
InChIInChI=1S/C8H13NO/c1-7-6-8(10-9-7)4-2-3-5-8/h6,9H,2-5H2,1H3
InChIKeyHILAJQYECNQESO-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.74
Rot. Bonds

About 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene

3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene (PubChem CID 123672305) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene
PubChem CID123672305
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene
SMILESCC1=CC2(CCCC2)ON1
InChIInChI=1S/C8H13NO/c1-7-6-8(10-9-7)4-2-3-5-8/h6,9H,2-5H2,1H3
InChIKeyHILAJQYECNQESO-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-oxa-2-azaspiro[4.4]non-3-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'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]
CID 123928664
3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide
CID 66680302
N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
CID 91585007
1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine
CID 90965291
N-cyclohexyl-1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91065061
methyl 3-cyclohexyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
CID 90808141
1,5,7-trimethyl-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 86018488
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
CID 84723182
3-(2-phenylethynyl)-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 123630922
spiro[chromene-2,1'-cyclopentane]-4-carbonitrile
CID 13339146
4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane
CID 144634399
2-methyl-1-oxaspiro[4.5]dec-2-ene
CID 11367104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene?
The IUPAC name of 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene (CID 123672305) is 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene.
What is the SMILES notation for 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene?
The canonical SMILES for 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene is CC1=CC2(CCCC2)ON1.
What is the InChIKey of 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene?
The InChIKey is HILAJQYECNQESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-6-8(10-9-7)4-2-3-5-8/h6,9H,2-5H2,1H3.
What are the key properties of 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene?
3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene has a molecular weight of 139.20 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 123672305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).