(6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane

C7H11N3O — CID 125455158

IUPAC(6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane
SMILES[N-]=[N+]=NC[C@H]1CC2(CC2)CO1
InChIInChI=1S/C7H11N3O/c8-10-9-4-6-3-7(1-2-7)5-11-6/h6H,1-5H2/t6-/m1/s1
InChIKeyAZSYCVRZTKOEES-ZCFIWIBFSA-N
MW153.19 g/mol
LogP1.87
Rot. Bonds2

About (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane

(6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane (PubChem CID 125455158) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name(6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane
PubChem CID125455158
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane
SMILES[N-]=[N+]=NC[C@H]1CC2(CC2)CO1
InChIInChI=1S/C7H11N3O/c8-10-9-4-6-3-7(1-2-7)5-11-6/h6H,1-5H2/t6-/m1/s1
InChIKeyAZSYCVRZTKOEES-ZCFIWIBFSA-N
XLogP1.87
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane?
The IUPAC name of (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane (CID 125455158) is (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane.
What is the SMILES notation for (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane?
The canonical SMILES for (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane is [N-]=[N+]=NC[C@H]1CC2(CC2)CO1.
What is the InChIKey of (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane?
The InChIKey is AZSYCVRZTKOEES-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O/c8-10-9-4-6-3-7(1-2-7)5-11-6/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane?
(6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane has a molecular weight of 153.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(azidomethyl)-5-oxaspiro[2.4]heptane is sourced from PubChem (CID 125455158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).