7-azabicyclo[4.2.0]oct-3-ene

C7H11N — CID 53438709

IUPAC7-azabicyclo[4.2.0]oct-3-ene
SMILESC1=CCC2NCC2C1
InChIInChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h1-2,6-8H,3-5H2
InChIKeyOJPKZBPCCLLSBH-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.92
Rot. Bonds

About 7-azabicyclo[4.2.0]oct-3-ene

7-azabicyclo[4.2.0]oct-3-ene (PubChem CID 53438709) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 7-azabicyclo[4.2.0]oct-3-ene.

Molecular Properties

Compound Name7-azabicyclo[4.2.0]oct-3-ene
PubChem CID53438709
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name7-azabicyclo[4.2.0]oct-3-ene
SMILESC1=CCC2NCC2C1
InChIInChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h1-2,6-8H,3-5H2
InChIKeyOJPKZBPCCLLSBH-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-azabicyclo[4.2.0]oct-3-ene?
The IUPAC name of 7-azabicyclo[4.2.0]oct-3-ene (CID 53438709) is 7-azabicyclo[4.2.0]oct-3-ene.
What is the SMILES notation for 7-azabicyclo[4.2.0]oct-3-ene?
The canonical SMILES for 7-azabicyclo[4.2.0]oct-3-ene is C1=CCC2NCC2C1.
What is the InChIKey of 7-azabicyclo[4.2.0]oct-3-ene?
The InChIKey is OJPKZBPCCLLSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h1-2,6-8H,3-5H2.
What are the key properties of 7-azabicyclo[4.2.0]oct-3-ene?
7-azabicyclo[4.2.0]oct-3-ene has a molecular weight of 109.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.2.0]oct-3-ene is sourced from PubChem (CID 53438709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).