3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene

C10H17NO2 — CID 135252236

IUPAC3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCOC1=CC2(CCN(C)CC2)OC1
InChIInChI=1S/C10H17NO2/c1-11-5-3-10(4-6-11)7-9(12-2)8-13-10/h7H,3-6,8H2,1-2H3
InChIKeyKHFKKLPACSXSIM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.01
Rot. Bonds1

About 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene

3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 135252236) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID135252236
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCOC1=CC2(CCN(C)CC2)OC1
InChIInChI=1S/C10H17NO2/c1-11-5-3-10(4-6-11)7-9(12-2)8-13-10/h7H,3-6,8H2,1-2H3
InChIKeyKHFKKLPACSXSIM-UHFFFAOYSA-N
XLogP1.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 135252236) is 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene is COC1=CC2(CCN(C)CC2)OC1.
What is the InChIKey of 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is KHFKKLPACSXSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-5-3-10(4-6-11)7-9(12-2)8-13-10/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 183.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 135252236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).