2-(2-azidoethoxy)acetaldehyde

C4H7N3O2 — CID 123518154

IUPAC2-(2-azidoethoxy)acetaldehyde
SMILES[N-]=[N+]=NCCOCC=O
InChIInChI=1S/C4H7N3O2/c5-7-6-1-3-9-4-2-8/h2H,1,3-4H2
InChIKeyQOOUYFIWLMDQCC-UHFFFAOYSA-N
MW129.12 g/mol
LogP0.51
Rot. Bonds5

About 2-(2-azidoethoxy)acetaldehyde

2-(2-azidoethoxy)acetaldehyde (PubChem CID 123518154) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-(2-azidoethoxy)acetaldehyde.

Molecular Properties

Compound Name2-(2-azidoethoxy)acetaldehyde
PubChem CID123518154
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-(2-azidoethoxy)acetaldehyde
SMILES[N-]=[N+]=NCCOCC=O
InChIInChI=1S/C4H7N3O2/c5-7-6-1-3-9-4-2-8/h2H,1,3-4H2
InChIKeyQOOUYFIWLMDQCC-UHFFFAOYSA-N
XLogP0.51
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]prop-1-ene
CID 150682699
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
CID 90113006
1,5-bis(2-azidoethoxy)pentane
CID 130260836
1-azido-3-(2-azidoethoxy)propane
CID 161084189
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 172639428
1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
CID 140930764
1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 170117049
1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 71551922
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10940805

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)acetaldehyde?
The IUPAC name of 2-(2-azidoethoxy)acetaldehyde (CID 123518154) is 2-(2-azidoethoxy)acetaldehyde.
What is the SMILES notation for 2-(2-azidoethoxy)acetaldehyde?
The canonical SMILES for 2-(2-azidoethoxy)acetaldehyde is [N-]=[N+]=NCCOCC=O.
What is the InChIKey of 2-(2-azidoethoxy)acetaldehyde?
The InChIKey is QOOUYFIWLMDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-7-6-1-3-9-4-2-8/h2H,1,3-4H2.
What are the key properties of 2-(2-azidoethoxy)acetaldehyde?
2-(2-azidoethoxy)acetaldehyde has a molecular weight of 129.12 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)acetaldehyde is sourced from PubChem (CID 123518154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).