9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene

C10H17NO — CID 21050545

IUPAC9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
SMILESCN1CCC2(CC=CCO2)CC1
InChIInChI=1S/C10H17NO/c1-11-7-5-10(6-8-11)4-2-3-9-12-10/h2-3H,4-9H2,1H3
InChIKeyNQFISGCPDWHWAW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.43
Rot. Bonds

About 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene

9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene (PubChem CID 21050545) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
PubChem CID21050545
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
SMILESCN1CCC2(CC=CCO2)CC1
InChIInChI=1S/C10H17NO/c1-11-7-5-10(6-8-11)4-2-3-9-12-10/h2-3H,4-9H2,1H3
InChIKeyNQFISGCPDWHWAW-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
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 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene?
The IUPAC name of 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene (CID 21050545) is 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene.
What is the SMILES notation for 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene?
The canonical SMILES for 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene is CN1CCC2(CC=CCO2)CC1.
What is the InChIKey of 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene?
The InChIKey is NQFISGCPDWHWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-7-5-10(6-8-11)4-2-3-9-12-10/h2-3H,4-9H2,1H3.
What are the key properties of 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene?
9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene has a molecular weight of 167.25 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-oxa-9-azaspiro[5.5]undec-3-ene is sourced from PubChem (CID 21050545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).