(2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane

C10H17N3O — CID 125449185

IUPAC(2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane
SMILESC[C@@H]1CCC[C@@]12CC[C@@H](CN=[N+]=[N-])O2
InChIInChI=1S/C10H17N3O/c1-8-3-2-5-10(8)6-4-9(14-10)7-12-13-11/h8-9H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyAWNQXPRDOQQZHL-KXUCPTDWSA-N
MW195.27 g/mol
LogP3.03
Rot. Bonds2

About (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane

(2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane (PubChem CID 125449185) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane
PubChem CID125449185
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane
SMILESC[C@@H]1CCC[C@@]12CC[C@@H](CN=[N+]=[N-])O2
InChIInChI=1S/C10H17N3O/c1-8-3-2-5-10(8)6-4-9(14-10)7-12-13-11/h8-9H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyAWNQXPRDOQQZHL-KXUCPTDWSA-N
XLogP3.03
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.03
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 (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane?
The IUPAC name of (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane (CID 125449185) is (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane.
What is the SMILES notation for (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane?
The canonical SMILES for (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane is C[C@@H]1CCC[C@@]12CC[C@@H](CN=[N+]=[N-])O2.
What is the InChIKey of (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane?
The InChIKey is AWNQXPRDOQQZHL-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-3-2-5-10(8)6-4-9(14-10)7-12-13-11/h8-9H,2-7H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane?
(2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane has a molecular weight of 195.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,9R)-2-(azidomethyl)-9-methyl-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 125449185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).