2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide

C7H12N4O3 — CID 13388539

IUPAC2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide
SMILESCC1(C)OCC(C(N=[N+]=[N-])C(N)=O)O1
InChIInChI=1S/C7H12N4O3/c1-7(2)13-3-4(14-7)5(6(8)12)10-11-9/h4-5H,3H2,1-2H3,(H2,8,12)
InChIKeyIMERVTZRSDXPJL-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.30
Rot. Bonds3

About 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide

2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide (PubChem CID 13388539) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide.

Molecular Properties

Compound Name2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide
PubChem CID13388539
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide
SMILESCC1(C)OCC(C(N=[N+]=[N-])C(N)=O)O1
InChIInChI=1S/C7H12N4O3/c1-7(2)13-3-4(14-7)5(6(8)12)10-11-9/h4-5H,3H2,1-2H3,(H2,8,12)
InChIKeyIMERVTZRSDXPJL-UHFFFAOYSA-N
XLogP0.30
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide?
The IUPAC name of 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide (CID 13388539) is 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide.
What is the SMILES notation for 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide?
The canonical SMILES for 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide is CC1(C)OCC(C(N=[N+]=[N-])C(N)=O)O1.
What is the InChIKey of 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide?
The InChIKey is IMERVTZRSDXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-7(2)13-3-4(14-7)5(6(8)12)10-11-9/h4-5H,3H2,1-2H3,(H2,8,12).
What are the key properties of 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide?
2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide has a molecular weight of 200.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetamide is sourced from PubChem (CID 13388539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).