5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

C10H17NO — CID 172575138

IUPAC5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCC1=CCCOC12CCNCC2
InChIInChI=1S/C10H17NO/c1-9-3-2-8-12-10(9)4-6-11-7-5-10/h3,11H,2,4-8H2,1H3
InChIKeySZQXUVKKTFFVJN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds

About 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene (PubChem CID 172575138) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
PubChem CID172575138
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCC1=CCCOC12CCNCC2
InChIInChI=1S/C10H17NO/c1-9-3-2-8-12-10(9)4-6-11-7-5-10/h3,11H,2,4-8H2,1H3
InChIKeySZQXUVKKTFFVJN-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 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene?
The IUPAC name of 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene (CID 172575138) is 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene.
What is the SMILES notation for 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene?
The canonical SMILES for 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene is CC1=CCCOC12CCNCC2.
What is the InChIKey of 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene?
The InChIKey is SZQXUVKKTFFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-3-2-8-12-10(9)4-6-11-7-5-10/h3,11H,2,4-8H2,1H3.
What are the key properties of 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene?
5-methyl-1-oxa-9-azaspiro[5.5]undec-4-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 5-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene is sourced from PubChem (CID 172575138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).