2-(azidomethyl)-1,3-dioxolane

C4H7N3O2 — CID 19934523

IUPAC2-(azidomethyl)-1,3-dioxolane
SMILES[N-]=[N+]=NCC1OCCO1
InChIInChI=1S/C4H7N3O2/c5-7-6-3-4-8-1-2-9-4/h4H,1-3H2
InChIKeyHHVWNZCCNWEGRZ-UHFFFAOYSA-N
MW129.12 g/mol
LogP0.67
Rot. Bonds2

About 2-(azidomethyl)-1,3-dioxolane

2-(azidomethyl)-1,3-dioxolane (PubChem CID 19934523) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(azidomethyl)-1,3-dioxolane
PubChem CID19934523
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-(azidomethyl)-1,3-dioxolane
SMILES[N-]=[N+]=NCC1OCCO1
InChIInChI=1S/C4H7N3O2/c5-7-6-3-4-8-1-2-9-4/h4H,1-3H2
InChIKeyHHVWNZCCNWEGRZ-UHFFFAOYSA-N
XLogP0.67
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1,3-dioxolane?
The IUPAC name of 2-(azidomethyl)-1,3-dioxolane (CID 19934523) is 2-(azidomethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(azidomethyl)-1,3-dioxolane?
The canonical SMILES for 2-(azidomethyl)-1,3-dioxolane is [N-]=[N+]=NCC1OCCO1.
What is the InChIKey of 2-(azidomethyl)-1,3-dioxolane?
The InChIKey is HHVWNZCCNWEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-7-6-3-4-8-1-2-9-4/h4H,1-3H2.
What are the key properties of 2-(azidomethyl)-1,3-dioxolane?
2-(azidomethyl)-1,3-dioxolane has a molecular weight of 129.12 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3-dioxolane is sourced from PubChem (CID 19934523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).