(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene

C9H13N3 — CID 134858467

IUPAC(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene
SMILES[N-]=[N+]=NC1C[C@H]2C=CC[C@@H](C1)C2
InChIInChI=1S/C9H13N3/c10-12-11-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2/t7-,8+,9?/m0/s1
InChIKeyFZQMSUGAQHVRIW-ZQTLJVIJSA-N
MW163.22 g/mol
LogP3.04
Rot. Bonds1

About (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene

(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene (PubChem CID 134858467) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene
PubChem CID134858467
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene
SMILES[N-]=[N+]=NC1C[C@H]2C=CC[C@@H](C1)C2
InChIInChI=1S/C9H13N3/c10-12-11-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2/t7-,8+,9?/m0/s1
InChIKeyFZQMSUGAQHVRIW-ZQTLJVIJSA-N
XLogP3.04
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 53.04
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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Related Compounds

(1R,5S)-bicyclo[3.3.1]non-6-en-3-amine
CID 134834690
Bicyclo[3.3.1]non-6-en-3-amine
CID 424483
(1Z,6R)-5-azido-6-methylcyclooctene
CID 54535354
9-Bicyclo[3.3.1]non-2-enyldiazene
CID 70171955
3,4,4a,7,8,8a-Hexahydrocinnoline
CID 90874658
(3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
CID 123346188
(1R,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
CID 12739442
rac-(1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-amine
CID 12739444
(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
CID 55289778
6-Azidotricyclo[3.3.1.02,8]non-3-ene
CID 85929205

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene?
The IUPAC name of (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene (CID 134858467) is (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene.
What is the SMILES notation for (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene?
The canonical SMILES for (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene is [N-]=[N+]=NC1C[C@H]2C=CC[C@@H](C1)C2.
What is the InChIKey of (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene?
The InChIKey is FZQMSUGAQHVRIW-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H13N3/c10-12-11-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6H2/t7-,8+,9?/m0/s1.
What are the key properties of (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene?
(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene has a molecular weight of 163.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-azidobicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 134858467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).