(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene

C10H17NO — CID 122597382

IUPAC(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
SMILESC[C@H]1COCC[C@]12CC=CCN2
InChIInChI=1S/C10H17NO/c1-9-8-12-7-5-10(9)4-2-3-6-11-10/h2-3,9,11H,4-8H2,1H3/t9-,10+/m0/s1
InChIKeyJYPYPWTXKBJMFK-VHSXEESVSA-N
MW167.25 g/mol
LogP1.33
Rot. Bonds

About (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene

(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene (PubChem CID 122597382) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
PubChem CID122597382
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
SMILESC[C@H]1COCC[C@]12CC=CCN2
InChIInChI=1S/C10H17NO/c1-9-8-12-7-5-10(9)4-2-3-6-11-10/h2-3,9,11H,4-8H2,1H3/t9-,10+/m0/s1
InChIKeyJYPYPWTXKBJMFK-VHSXEESVSA-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'}

Analyze (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
The IUPAC name of (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene (CID 122597382) is (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene.
What is the SMILES notation for (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
The canonical SMILES for (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene is C[C@H]1COCC[C@]12CC=CCN2.
What is the InChIKey of (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
The InChIKey is JYPYPWTXKBJMFK-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-8-12-7-5-10(9)4-2-3-6-11-10/h2-3,9,11H,4-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene?
(6R,11R)-11-methyl-9-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 (6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene is sourced from PubChem (CID 122597382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).