(5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene

C11H19NO — CID 149411847

IUPAC(5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene
SMILESCC(C)(C)C1=CCN[C@]12CCOC2
InChIInChI=1S/C11H19NO/c1-10(2,3)9-4-6-12-11(9)5-7-13-8-11/h4,12H,5-8H2,1-3H3/t11-/m0/s1
InChIKeyYRKIACIRAHMAIZ-NSHDSACASA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds

About (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene

(5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene (PubChem CID 149411847) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene
PubChem CID149411847
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene
SMILESCC(C)(C)C1=CCN[C@]12CCOC2
InChIInChI=1S/C11H19NO/c1-10(2,3)9-4-6-12-11(9)5-7-13-8-11/h4,12H,5-8H2,1-3H3/t11-/m0/s1
InChIKeyYRKIACIRAHMAIZ-NSHDSACASA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-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 (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene?
The IUPAC name of (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene (CID 149411847) is (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene.
What is the SMILES notation for (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene?
The canonical SMILES for (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene is CC(C)(C)C1=CCN[C@]12CCOC2.
What is the InChIKey of (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene?
The InChIKey is YRKIACIRAHMAIZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)9-4-6-12-11(9)5-7-13-8-11/h4,12H,5-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene?
(5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene has a molecular weight of 181.28 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-tert-butyl-7-oxa-1-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 149411847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).