11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene

C10H17NO — CID 122597274

IUPAC11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
SMILESCC1CCOCC12CC=CCN2
InChIInChI=1S/C10H17NO/c1-9-4-7-12-8-10(9)5-2-3-6-11-10/h2-3,9,11H,4-8H2,1H3
InChIKeyCVMWKDJYGOQIKK-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.33
Rot. Bonds

About 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene

11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene (PubChem CID 122597274) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
PubChem CID122597274
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
SMILESCC1CCOCC12CC=CCN2
InChIInChI=1S/C10H17NO/c1-9-4-7-12-8-10(9)5-2-3-6-11-10/h2-3,9,11H,4-8H2,1H3
InChIKeyCVMWKDJYGOQIKK-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
The IUPAC name of 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene (CID 122597274) is 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene.
What is the SMILES notation for 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
The canonical SMILES for 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene is CC1CCOCC12CC=CCN2.
What is the InChIKey of 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
The InChIKey is CVMWKDJYGOQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-4-7-12-8-10(9)5-2-3-6-11-10/h2-3,9,11H,4-8H2,1H3.
What are the key properties of 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene has a molecular weight of 167.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-oxa-1-azaspiro[5.5]undec-3-ene is sourced from PubChem (CID 122597274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).