6-azabicyclo[3.2.0]hept-3-ene

C6H9N — CID 58247571

IUPAC6-azabicyclo[3.2.0]hept-3-ene
SMILESC1=CC2NCC2C1
InChIInChI=1S/C6H9N/c1-2-5-4-7-6(5)3-1/h1,3,5-7H,2,4H2
InChIKeyJVMATCACPSLCKZ-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.53
Rot. Bonds

About 6-azabicyclo[3.2.0]hept-3-ene

6-azabicyclo[3.2.0]hept-3-ene (PubChem CID 58247571) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 6-azabicyclo[3.2.0]hept-3-ene.

Molecular Properties

Compound Name6-azabicyclo[3.2.0]hept-3-ene
PubChem CID58247571
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name6-azabicyclo[3.2.0]hept-3-ene
SMILESC1=CC2NCC2C1
InChIInChI=1S/C6H9N/c1-2-5-4-7-6(5)3-1/h1,3,5-7H,2,4H2
InChIKeyJVMATCACPSLCKZ-UHFFFAOYSA-N
XLogP0.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.53
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 6-azabicyclo[3.2.0]hept-3-ene?
The IUPAC name of 6-azabicyclo[3.2.0]hept-3-ene (CID 58247571) is 6-azabicyclo[3.2.0]hept-3-ene.
What is the SMILES notation for 6-azabicyclo[3.2.0]hept-3-ene?
The canonical SMILES for 6-azabicyclo[3.2.0]hept-3-ene is C1=CC2NCC2C1.
What is the InChIKey of 6-azabicyclo[3.2.0]hept-3-ene?
The InChIKey is JVMATCACPSLCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-5-4-7-6(5)3-1/h1,3,5-7H,2,4H2.
What are the key properties of 6-azabicyclo[3.2.0]hept-3-ene?
6-azabicyclo[3.2.0]hept-3-ene has a molecular weight of 95.14 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 58247571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).