2-(azidomethyl)-1-oxaspiro[4.4]nonane

C9H15N3O — CID 102899110

IUPAC2-(azidomethyl)-1-oxaspiro[4.4]nonane
SMILES[N-]=[N+]=NCC1CCC2(CCCC2)O1
InChIInChI=1S/C9H15N3O/c10-12-11-7-8-3-6-9(13-8)4-1-2-5-9/h8H,1-7H2
InChIKeyBUMYNMDAZSUGDO-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.79
Rot. Bonds2

About 2-(azidomethyl)-1-oxaspiro[4.4]nonane

2-(azidomethyl)-1-oxaspiro[4.4]nonane (PubChem CID 102899110) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(azidomethyl)-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(azidomethyl)-1-oxaspiro[4.4]nonane
PubChem CID102899110
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(azidomethyl)-1-oxaspiro[4.4]nonane
SMILES[N-]=[N+]=NCC1CCC2(CCCC2)O1
InChIInChI=1S/C9H15N3O/c10-12-11-7-8-3-6-9(13-8)4-1-2-5-9/h8H,1-7H2
InChIKeyBUMYNMDAZSUGDO-UHFFFAOYSA-N
XLogP2.79
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.79
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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Related Compounds

2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
CID 165438047
2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 165438045
(2S,5R,9R)-2-(azidomethyl)-9-ethyl-1-oxaspiro[4.4]nonane
CID 125450213
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(2S,5S,8S,9S)-2-(azidomethyl)-8,9-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 125450249
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-(azidomethyl)-1-oxaspiro[4.4]nonane (CID 102899110) is 2-(azidomethyl)-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-(azidomethyl)-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-(azidomethyl)-1-oxaspiro[4.4]nonane is [N-]=[N+]=NCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(azidomethyl)-1-oxaspiro[4.4]nonane?
The InChIKey is BUMYNMDAZSUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-12-11-7-8-3-6-9(13-8)4-1-2-5-9/h8H,1-7H2.
What are the key properties of 2-(azidomethyl)-1-oxaspiro[4.4]nonane?
2-(azidomethyl)-1-oxaspiro[4.4]nonane has a molecular weight of 181.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102899110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).