9-oxa-3-azabicyclo[4.2.1]non-7-ene

C7H11NO — CID 55286417

IUPAC9-oxa-3-azabicyclo[4.2.1]non-7-ene
SMILESC1=CC2CNCCC1O2
InChIInChI=1S/C7H11NO/c1-2-7-5-8-4-3-6(1)9-7/h1-2,6-8H,3-5H2
InChIKeyPPNFNNXWSNZVLE-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.30
Rot. Bonds

About 9-oxa-3-azabicyclo[4.2.1]non-7-ene

9-oxa-3-azabicyclo[4.2.1]non-7-ene (PubChem CID 55286417) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 9-oxa-3-azabicyclo[4.2.1]non-7-ene.

Molecular Properties

Compound Name9-oxa-3-azabicyclo[4.2.1]non-7-ene
PubChem CID55286417
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name9-oxa-3-azabicyclo[4.2.1]non-7-ene
SMILESC1=CC2CNCCC1O2
InChIInChI=1S/C7H11NO/c1-2-7-5-8-4-3-6(1)9-7/h1-2,6-8H,3-5H2
InChIKeyPPNFNNXWSNZVLE-UHFFFAOYSA-N
XLogP0.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 9-oxa-3-azabicyclo[4.2.1]non-7-ene?
The IUPAC name of 9-oxa-3-azabicyclo[4.2.1]non-7-ene (CID 55286417) is 9-oxa-3-azabicyclo[4.2.1]non-7-ene.
What is the SMILES notation for 9-oxa-3-azabicyclo[4.2.1]non-7-ene?
The canonical SMILES for 9-oxa-3-azabicyclo[4.2.1]non-7-ene is C1=CC2CNCCC1O2.
What is the InChIKey of 9-oxa-3-azabicyclo[4.2.1]non-7-ene?
The InChIKey is PPNFNNXWSNZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7-5-8-4-3-6(1)9-7/h1-2,6-8H,3-5H2.
What are the key properties of 9-oxa-3-azabicyclo[4.2.1]non-7-ene?
9-oxa-3-azabicyclo[4.2.1]non-7-ene has a molecular weight of 125.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-3-azabicyclo[4.2.1]non-7-ene is sourced from PubChem (CID 55286417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).