3-azido-5-methyloxolan-2-one

C5H7N3O2 — CID 14525640

IUPAC3-azido-5-methyloxolan-2-one
SMILESCC1CC(N=[N+]=[N-])C(=O)O1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(7-8-6)5(9)10-3/h3-4H,2H2,1H3
InChIKeyWPMFIJUWEZFEIQ-UHFFFAOYSA-N
MW141.13 g/mol
LogP1.00
Rot. Bonds1

About 3-azido-5-methyloxolan-2-one

3-azido-5-methyloxolan-2-one (PubChem CID 14525640) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-azido-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-azido-5-methyloxolan-2-one
PubChem CID14525640
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-azido-5-methyloxolan-2-one
SMILESCC1CC(N=[N+]=[N-])C(=O)O1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(7-8-6)5(9)10-3/h3-4H,2H2,1H3
InChIKeyWPMFIJUWEZFEIQ-UHFFFAOYSA-N
XLogP1.00
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.00
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'}

Analyze 3-azido-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-methyloxolan-2-one?
The IUPAC name of 3-azido-5-methyloxolan-2-one (CID 14525640) is 3-azido-5-methyloxolan-2-one.
What is the SMILES notation for 3-azido-5-methyloxolan-2-one?
The canonical SMILES for 3-azido-5-methyloxolan-2-one is CC1CC(N=[N+]=[N-])C(=O)O1.
What is the InChIKey of 3-azido-5-methyloxolan-2-one?
The InChIKey is WPMFIJUWEZFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-4(7-8-6)5(9)10-3/h3-4H,2H2,1H3.
What are the key properties of 3-azido-5-methyloxolan-2-one?
3-azido-5-methyloxolan-2-one has a molecular weight of 141.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-methyloxolan-2-one is sourced from PubChem (CID 14525640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).