5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane

C8H13NO — CID 131084549

IUPAC5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=CCN1CCOC2CC21
InChIInChI=1S/C8H13NO/c1-2-3-9-4-5-10-8-6-7(8)9/h2,7-8H,1,3-6H2
InChIKeyUZRJSDCFUOMYLE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.65
Rot. Bonds2

About 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane

5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 131084549) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID131084549
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=CCN1CCOC2CC21
InChIInChI=1S/C8H13NO/c1-2-3-9-4-5-10-8-6-7(8)9/h2,7-8H,1,3-6H2
InChIKeyUZRJSDCFUOMYLE-UHFFFAOYSA-N
XLogP0.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane 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 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane (CID 131084549) is 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane is C=CCN1CCOC2CC21.
What is the InChIKey of 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is UZRJSDCFUOMYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-9-4-5-10-8-6-7(8)9/h2,7-8H,1,3-6H2.
What are the key properties of 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 139.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 131084549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).