(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide

C8H11N3O — CID 11819378

IUPAC(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H11N3O/c9-11-10-8(12)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyXLOCYOCDOLINDL-DSYKOEDSSA-N
MW165.20 g/mol
LogP2.26
Rot. Bonds1

About (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide

(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide (PubChem CID 11819378) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide.

Molecular Properties

Compound Name(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide
PubChem CID11819378
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H11N3O/c9-11-10-8(12)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyXLOCYOCDOLINDL-DSYKOEDSSA-N
XLogP2.26
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
CID 13108219
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
1-(2-bicyclo[2.2.1]heptanyl)-2-chloro-2,2-difluoroethanone
CID 130494478
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
CID 14435685
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide?
The IUPAC name of (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide (CID 11819378) is (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide.
What is the SMILES notation for (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide?
The canonical SMILES for (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide is [N-]=[N+]=NC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide?
The InChIKey is XLOCYOCDOLINDL-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H11N3O/c9-11-10-8(12)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7-/m1/s1.
What are the key properties of (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide?
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide has a molecular weight of 165.20 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 (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl azide is sourced from PubChem (CID 11819378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).