6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane

C8H13NO — CID 156640071

IUPAC6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESC=CCN1C2COCC1C2
InChIInChI=1S/C8H13NO/c1-2-3-9-7-4-8(9)6-10-5-7/h2,7-8H,1,3-6H2
InChIKeyUWJPFBXRNJTEMX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.65
Rot. Bonds2

About 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane

6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane (PubChem CID 156640071) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane
PubChem CID156640071
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESC=CCN1C2COCC1C2
InChIInChI=1S/C8H13NO/c1-2-3-9-7-4-8(9)6-10-5-7/h2,7-8H,1,3-6H2
InChIKeyUWJPFBXRNJTEMX-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane (CID 156640071) is 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane is C=CCN1C2COCC1C2.
What is the InChIKey of 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane?
The InChIKey is UWJPFBXRNJTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-9-7-4-8(9)6-10-5-7/h2,7-8H,1,3-6H2.
What are the key properties of 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane?
6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]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 6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 156640071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).