1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene

C11H19NO — CID 137448380

IUPAC1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene
SMILESCC1COCCC12CC=CCN2C
InChIInChI=1S/C11H19NO/c1-10-9-13-8-6-11(10)5-3-4-7-12(11)2/h3-4,10H,5-9H2,1-2H3
InChIKeyVTNMSFVWLTWDIL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.67
Rot. Bonds

About 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene

1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene (PubChem CID 137448380) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene
PubChem CID137448380
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene
SMILESCC1COCCC12CC=CCN2C
InChIInChI=1S/C11H19NO/c1-10-9-13-8-6-11(10)5-3-4-7-12(11)2/h3-4,10H,5-9H2,1-2H3
InChIKeyVTNMSFVWLTWDIL-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.67
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 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
The IUPAC name of 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene (CID 137448380) is 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene.
What is the SMILES notation for 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
The canonical SMILES for 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene is CC1COCCC12CC=CCN2C.
What is the InChIKey of 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
The InChIKey is VTNMSFVWLTWDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10-9-13-8-6-11(10)5-3-4-7-12(11)2/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene has a molecular weight of 181.28 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethyl-9-oxa-1-azaspiro[5.5]undec-3-ene is sourced from PubChem (CID 137448380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).