(1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene

C7H9N3 — CID 10855506

IUPAC(1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=N[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C7H9N3/c8-10-9-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m1/s1
InChIKeyCTYUYTLJJKGKND-VQVTYTSYSA-N
MW135.17 g/mol
LogP2.26
Rot. Bonds1

About (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene

(1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene (PubChem CID 10855506) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene
PubChem CID10855506
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=N[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C7H9N3/c8-10-9-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m1/s1
InChIKeyCTYUYTLJJKGKND-VQVTYTSYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene (CID 10855506) is (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene is [N-]=[N+]=N[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene?
The InChIKey is CTYUYTLJJKGKND-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H9N3/c8-10-9-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m1/s1.
What are the key properties of (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene?
(1R,4R,5S)-5-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 (1R,4R,5S)-5-azidobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 10855506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).