2-(azidomethyl)-5-methyloxolane

C6H11N3O — CID 103135932

IUPAC2-(azidomethyl)-5-methyloxolane
SMILESCC1CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C6H11N3O/c1-5-2-3-6(10-5)4-8-9-7/h5-6H,2-4H2,1H3
InChIKeyBYGIZUORCZMTAM-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.86
Rot. Bonds2

About 2-(azidomethyl)-5-methyloxolane

2-(azidomethyl)-5-methyloxolane (PubChem CID 103135932) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(azidomethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(azidomethyl)-5-methyloxolane
PubChem CID103135932
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(azidomethyl)-5-methyloxolane
SMILESCC1CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C6H11N3O/c1-5-2-3-6(10-5)4-8-9-7/h5-6H,2-4H2,1H3
InChIKeyBYGIZUORCZMTAM-UHFFFAOYSA-N
XLogP1.86
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.86
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 2-(azidomethyl)-5-methyloxolane?
The IUPAC name of 2-(azidomethyl)-5-methyloxolane (CID 103135932) is 2-(azidomethyl)-5-methyloxolane.
What is the SMILES notation for 2-(azidomethyl)-5-methyloxolane?
The canonical SMILES for 2-(azidomethyl)-5-methyloxolane is CC1CCC(CN=[N+]=[N-])O1.
What is the InChIKey of 2-(azidomethyl)-5-methyloxolane?
The InChIKey is BYGIZUORCZMTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-2-3-6(10-5)4-8-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-(azidomethyl)-5-methyloxolane?
2-(azidomethyl)-5-methyloxolane has a molecular weight of 141.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-methyloxolane is sourced from PubChem (CID 103135932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).