1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane

C7H11NO — CID 71306274

IUPAC1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=CC12CNC(CO1)C2
InChIInChI=1S/C7H11NO/c1-2-7-3-6(4-9-7)8-5-7/h2,6,8H,1,3-5H2
InChIKeySVFRSMQUTIQYCN-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.30
Rot. Bonds1

About 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane

1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 71306274) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID71306274
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=CC12CNC(CO1)C2
InChIInChI=1S/C7H11NO/c1-2-7-3-6(4-9-7)8-5-7/h2,6,8H,1,3-5H2
InChIKeySVFRSMQUTIQYCN-UHFFFAOYSA-N
XLogP0.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
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 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 71306274) is 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane is C=CC12CNC(CO1)C2.
What is the InChIKey of 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is SVFRSMQUTIQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7-3-6(4-9-7)8-5-7/h2,6,8H,1,3-5H2.
What are the key properties of 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane?
1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 125.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71306274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).