bicyclo[4.1.0]hept-2-ene-7-carbonyl azide

C8H9N3O — CID 130004506

IUPACbicyclo[4.1.0]hept-2-ene-7-carbonyl azide
SMILES[N-]=[N+]=NC(=O)C1C2C=CCCC21
InChIInChI=1S/C8H9N3O/c9-11-10-8(12)7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2
InChIKeyCTBPMLPKNBCPJD-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.04
Rot. Bonds1

About bicyclo[4.1.0]hept-2-ene-7-carbonyl azide

bicyclo[4.1.0]hept-2-ene-7-carbonyl azide (PubChem CID 130004506) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is bicyclo[4.1.0]hept-2-ene-7-carbonyl azide.

Molecular Properties

Compound Namebicyclo[4.1.0]hept-2-ene-7-carbonyl azide
PubChem CID130004506
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Namebicyclo[4.1.0]hept-2-ene-7-carbonyl azide
SMILES[N-]=[N+]=NC(=O)C1C2C=CCCC21
InChIInChI=1S/C8H9N3O/c9-11-10-8(12)7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2
InChIKeyCTBPMLPKNBCPJD-UHFFFAOYSA-N
XLogP2.04
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hept-2-ene-7-carbonyl azide?
The IUPAC name of bicyclo[4.1.0]hept-2-ene-7-carbonyl azide (CID 130004506) is bicyclo[4.1.0]hept-2-ene-7-carbonyl azide.
What is the SMILES notation for bicyclo[4.1.0]hept-2-ene-7-carbonyl azide?
The canonical SMILES for bicyclo[4.1.0]hept-2-ene-7-carbonyl azide is [N-]=[N+]=NC(=O)C1C2C=CCCC21.
What is the InChIKey of bicyclo[4.1.0]hept-2-ene-7-carbonyl azide?
The InChIKey is CTBPMLPKNBCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-11-10-8(12)7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2.
What are the key properties of bicyclo[4.1.0]hept-2-ene-7-carbonyl azide?
bicyclo[4.1.0]hept-2-ene-7-carbonyl azide has a molecular weight of 163.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hept-2-ene-7-carbonyl azide is sourced from PubChem (CID 130004506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).