5-(1-azidoethyl)-3-methyloxolan-2-one

C7H11N3O2 — CID 20714476

IUPAC5-(1-azidoethyl)-3-methyloxolan-2-one
SMILESCC1CC(C(C)N=[N+]=[N-])OC1=O
InChIInChI=1S/C7H11N3O2/c1-4-3-6(12-7(4)11)5(2)9-10-8/h4-6H,3H2,1-2H3
InChIKeyRIPYSAUZXYVXOE-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.64
Rot. Bonds2

About 5-(1-azidoethyl)-3-methyloxolan-2-one

5-(1-azidoethyl)-3-methyloxolan-2-one (PubChem CID 20714476) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(1-azidoethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-(1-azidoethyl)-3-methyloxolan-2-one
PubChem CID20714476
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(1-azidoethyl)-3-methyloxolan-2-one
SMILESCC1CC(C(C)N=[N+]=[N-])OC1=O
InChIInChI=1S/C7H11N3O2/c1-4-3-6(12-7(4)11)5(2)9-10-8/h4-6H,3H2,1-2H3
InChIKeyRIPYSAUZXYVXOE-UHFFFAOYSA-N
XLogP1.64
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.64
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 5-(1-azidoethyl)-3-methyloxolan-2-one?
The IUPAC name of 5-(1-azidoethyl)-3-methyloxolan-2-one (CID 20714476) is 5-(1-azidoethyl)-3-methyloxolan-2-one.
What is the SMILES notation for 5-(1-azidoethyl)-3-methyloxolan-2-one?
The canonical SMILES for 5-(1-azidoethyl)-3-methyloxolan-2-one is CC1CC(C(C)N=[N+]=[N-])OC1=O.
What is the InChIKey of 5-(1-azidoethyl)-3-methyloxolan-2-one?
The InChIKey is RIPYSAUZXYVXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-3-6(12-7(4)11)5(2)9-10-8/h4-6H,3H2,1-2H3.
What are the key properties of 5-(1-azidoethyl)-3-methyloxolan-2-one?
5-(1-azidoethyl)-3-methyloxolan-2-one has a molecular weight of 169.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azidoethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 20714476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).