3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene

C10H17NO — CID 142283359

IUPAC3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
SMILESCC1=COC2(CCN(C)CC2)C1
InChIInChI=1S/C10H17NO/c1-9-7-10(12-8-9)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
InChIKeySKBDSYWWUPYCNV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.77
Rot. Bonds

About 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene

3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene (PubChem CID 142283359) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
PubChem CID142283359
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
SMILESCC1=COC2(CCN(C)CC2)C1
InChIInChI=1S/C10H17NO/c1-9-7-10(12-8-9)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
InChIKeySKBDSYWWUPYCNV-UHFFFAOYSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10352065
4-(2,3-Dihydrofuran-4-yl)-1-methylpiperidin-4-ol
CID 130578941

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene (CID 142283359) is 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene is CC1=COC2(CCN(C)CC2)C1.
What is the InChIKey of 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
The InChIKey is SKBDSYWWUPYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-7-10(12-8-9)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene has a molecular weight of 167.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 142283359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).