2-azabicyclo[3.2.0]hept-6-ene

C6H9N — CID 14815768

IUPAC2-azabicyclo[3.2.0]hept-6-ene
SMILESC1=CC2NCCC12
InChIInChI=1S/C6H9N/c1-2-6-5(1)3-4-7-6/h1-2,5-7H,3-4H2
InChIKeySMUKNIYCTSOICZ-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.53
Rot. Bonds

About 2-azabicyclo[3.2.0]hept-6-ene

2-azabicyclo[3.2.0]hept-6-ene (PubChem CID 14815768) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-azabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name2-azabicyclo[3.2.0]hept-6-ene
PubChem CID14815768
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-azabicyclo[3.2.0]hept-6-ene
SMILESC1=CC2NCCC12
InChIInChI=1S/C6H9N/c1-2-6-5(1)3-4-7-6/h1-2,5-7H,3-4H2
InChIKeySMUKNIYCTSOICZ-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 2-azabicyclo[3.2.0]hept-6-ene?
The IUPAC name of 2-azabicyclo[3.2.0]hept-6-ene (CID 14815768) is 2-azabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 2-azabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 2-azabicyclo[3.2.0]hept-6-ene is C1=CC2NCCC12.
What is the InChIKey of 2-azabicyclo[3.2.0]hept-6-ene?
The InChIKey is SMUKNIYCTSOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-5(1)3-4-7-6/h1-2,5-7H,3-4H2.
What are the key properties of 2-azabicyclo[3.2.0]hept-6-ene?
2-azabicyclo[3.2.0]hept-6-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 2-azabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 14815768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).