7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane

C11H19NO — CID 131234481

IUPAC7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESC/C=C/CN1CCC2(CCOC2)C1
InChIInChI=1S/C11H19NO/c1-2-3-6-12-7-4-11(9-12)5-8-13-10-11/h2-3H,4-10H2,1H3/b3-2+
InChIKeyXTDZGYBRUNSSPT-NSCUHMNNSA-N
MW181.28 g/mol
LogP1.67
Rot. Bonds2

About 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane

7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 131234481) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID131234481
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESC/C=C/CN1CCC2(CCOC2)C1
InChIInChI=1S/C11H19NO/c1-2-3-6-12-7-4-11(9-12)5-8-13-10-11/h2-3H,4-10H2,1H3/b3-2+
InChIKeyXTDZGYBRUNSSPT-NSCUHMNNSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane 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 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane (CID 131234481) is 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane is C/C=C/CN1CCC2(CCOC2)C1.
What is the InChIKey of 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is XTDZGYBRUNSSPT-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-6-12-7-4-11(9-12)5-8-13-10-11/h2-3H,4-10H2,1H3/b3-2+.
What are the key properties of 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane?
7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 181.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131234481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).