5-(azidomethyl)-2,2-dimethyloxolane

C7H13N3O — CID 86695687

IUPAC5-(azidomethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C7H13N3O/c1-7(2)4-3-6(11-7)5-9-10-8/h6H,3-5H2,1-2H3
InChIKeyKXZCFNXWFCMVOG-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.25
Rot. Bonds2

About 5-(azidomethyl)-2,2-dimethyloxolane

5-(azidomethyl)-2,2-dimethyloxolane (PubChem CID 86695687) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(azidomethyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(azidomethyl)-2,2-dimethyloxolane
PubChem CID86695687
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-(azidomethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C7H13N3O/c1-7(2)4-3-6(11-7)5-9-10-8/h6H,3-5H2,1-2H3
InChIKeyKXZCFNXWFCMVOG-UHFFFAOYSA-N
XLogP2.25
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.25
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 5-(azidomethyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(azidomethyl)-2,2-dimethyloxolane (CID 86695687) is 5-(azidomethyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(azidomethyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(azidomethyl)-2,2-dimethyloxolane is CC1(C)CCC(CN=[N+]=[N-])O1.
What is the InChIKey of 5-(azidomethyl)-2,2-dimethyloxolane?
The InChIKey is KXZCFNXWFCMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2)4-3-6(11-7)5-9-10-8/h6H,3-5H2,1-2H3.
What are the key properties of 5-(azidomethyl)-2,2-dimethyloxolane?
5-(azidomethyl)-2,2-dimethyloxolane has a molecular weight of 155.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-2,2-dimethyloxolane is sourced from PubChem (CID 86695687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).