7-azidobicyclo[2.2.1]hept-2-ene

C7H9N3 — CID 130004496

IUPAC7-azidobicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NC1C2C=CC1CC2
InChIInChI=1S/C7H9N3/c8-10-9-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4H2
InChIKeyASCYCDYEGAMFPZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.26
Rot. Bonds1

About 7-azidobicyclo[2.2.1]hept-2-ene

7-azidobicyclo[2.2.1]hept-2-ene (PubChem CID 130004496) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 7-azidobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-azidobicyclo[2.2.1]hept-2-ene
PubChem CID130004496
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name7-azidobicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NC1C2C=CC1CC2
InChIInChI=1S/C7H9N3/c8-10-9-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4H2
InChIKeyASCYCDYEGAMFPZ-UHFFFAOYSA-N
XLogP2.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.26
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'}

Analyze 7-azidobicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bicyclo[2.2.1]hept-2-en-7-amine
CID 22292228
3,4-Diazatricyclo(4.2.1.02,5)nona-3,7-diene
CID 141060
3a,4,5,7a-tetrahydro-3H-indazole
CID 13594555
3a,4,7,7a-tetrahydro-3H-indazole
CID 57082614
5-Isocyanobicyclo[2.2.1]hept-2-ene
CID 58555302
5-Azidobicyclo[2.2.1]hept-2-ene
CID 85290580
3a,6,7,7a-tetrahydro-3H-indazole
CID 91458428
1-Azidobicyclo[2.2.1]hept-2-ene
CID 142518827
(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene
CID 175745910
(1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene
CID 10855506
(1S,2R,5R,6R)-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene
CID 11869172
(1R,2R,6S)-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene
CID 11869173

Frequently Asked Questions

What is the IUPAC name of 7-azidobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-azidobicyclo[2.2.1]hept-2-ene (CID 130004496) is 7-azidobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-azidobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-azidobicyclo[2.2.1]hept-2-ene is [N-]=[N+]=NC1C2C=CC1CC2.
What is the InChIKey of 7-azidobicyclo[2.2.1]hept-2-ene?
The InChIKey is ASCYCDYEGAMFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-10-9-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4H2.
What are the key properties of 7-azidobicyclo[2.2.1]hept-2-ene?
7-azidobicyclo[2.2.1]hept-2-ene has a molecular weight of 135.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azidobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 130004496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).