5-(azidomethyl)bicyclo[2.2.1]hept-2-ene

C8H11N3 — CID 150182315

IUPAC5-(azidomethyl)bicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NCC1CC2C=CC1C2
InChIInChI=1S/C8H11N3/c9-11-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKeyFLRPIYBTPOXOMS-UHFFFAOYSA-N
MW149.20 g/mol
LogP2.51
Rot. Bonds2

About 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene

5-(azidomethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 150182315) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(azidomethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID150182315
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-(azidomethyl)bicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NCC1CC2C=CC1C2
InChIInChI=1S/C8H11N3/c9-11-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKeyFLRPIYBTPOXOMS-UHFFFAOYSA-N
XLogP2.51
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.51
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 5-(azidomethyl)bicyclo[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

5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 90326541
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
CID 59717872
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
2-bicyclo[2.2.1]hept-5-enylmethyl(dihydroxy)silane
CID 71356096
2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
CID 124630606
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxirane
CID 59717873
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-[(2,3,4,5,6-pentafluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 58813245
3-(2-bicyclo[2.2.1]hept-5-enyl)propanenitrile
CID 22336686
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene (CID 150182315) is 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene is [N-]=[N+]=NCC1CC2C=CC1C2.
What is the InChIKey of 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is FLRPIYBTPOXOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-11-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2.
What are the key properties of 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene?
5-(azidomethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 149.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 150182315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).