(2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane

C10H17N3O — CID 124679585

IUPAC(2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane
SMILES[N-]=[N+]=NC[C@@H]1CCC2(CCCCC2)O1
InChIInChI=1S/C10H17N3O/c11-13-12-8-9-4-7-10(14-9)5-2-1-3-6-10/h9H,1-8H2/t9-/m0/s1
InChIKeyCOKDOLPSODLJED-VIFPVBQESA-N
MW195.27 g/mol
LogP3.18
Rot. Bonds2

About (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane

(2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane (PubChem CID 124679585) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane
PubChem CID124679585
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane
SMILES[N-]=[N+]=NC[C@@H]1CCC2(CCCCC2)O1
InChIInChI=1S/C10H17N3O/c11-13-12-8-9-4-7-10(14-9)5-2-1-3-6-10/h9H,1-8H2/t9-/m0/s1
InChIKeyCOKDOLPSODLJED-VIFPVBQESA-N
XLogP3.18
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 ≤ 53.18
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)-2-(azidomethyl)-1-oxaspiro[4.5]decane?
The IUPAC name of (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane (CID 124679585) is (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane.
What is the SMILES notation for (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane?
The canonical SMILES for (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane is [N-]=[N+]=NC[C@@H]1CCC2(CCCCC2)O1.
What is the InChIKey of (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane?
The InChIKey is COKDOLPSODLJED-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O/c11-13-12-8-9-4-7-10(14-9)5-2-1-3-6-10/h9H,1-8H2/t9-/m0/s1.
What are the key properties of (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane?
(2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane has a molecular weight of 195.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azidomethyl)-1-oxaspiro[4.5]decane is sourced from PubChem (CID 124679585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).