3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

C10H17NO — CID 58641852

IUPAC3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCNCC2)OC1
InChIInChI=1S/C10H17NO/c1-8-7-12-10(9(8)2)3-5-11-6-4-10/h11H,3-7H2,1-2H3
InChIKeyRWAGCXUCYUDKMW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds

About 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 58641852) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID58641852
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCNCC2)OC1
InChIInChI=1S/C10H17NO/c1-8-7-12-10(9(8)2)3-5-11-6-4-10/h11H,3-7H2,1-2H3
InChIKeyRWAGCXUCYUDKMW-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 58641852) is 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCNCC2)OC1.
What is the InChIKey of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is RWAGCXUCYUDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-7-12-10(9(8)2)3-5-11-6-4-10/h11H,3-7H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 167.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 58641852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).