5-(2-azidoethoxy)pentan-2-one

C7H13N3O2 — CID 167591449

IUPAC5-(2-azidoethoxy)pentan-2-one
SMILESCC(=O)CCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O2/c1-7(11)3-2-5-12-6-4-9-10-8/h2-6H2,1H3
InChIKeyNUCYFXZNTMIQDF-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.68
Rot. Bonds7

About 5-(2-azidoethoxy)pentan-2-one

5-(2-azidoethoxy)pentan-2-one (PubChem CID 167591449) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(2-azidoethoxy)pentan-2-one.

Molecular Properties

Compound Name5-(2-azidoethoxy)pentan-2-one
PubChem CID167591449
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-(2-azidoethoxy)pentan-2-one
SMILESCC(=O)CCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O2/c1-7(11)3-2-5-12-6-4-9-10-8/h2-6H2,1H3
InChIKeyNUCYFXZNTMIQDF-UHFFFAOYSA-N
XLogP1.68
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
1-(2-azidoethoxy)-7-methyloctan-4-one
CID 163475475
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
16-azidohexadecan-2-one
CID 56624829
1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one
CID 161416676
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
1,5-bis(2-azidoethoxy)pentane
CID 130260836
1-azido-3-(2-azidoethoxy)propane
CID 161084189
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59103378
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078450
ethyl 7-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]heptanoate
CID 163846395
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295

Frequently Asked Questions

What is the IUPAC name of 5-(2-azidoethoxy)pentan-2-one?
The IUPAC name of 5-(2-azidoethoxy)pentan-2-one (CID 167591449) is 5-(2-azidoethoxy)pentan-2-one.
What is the SMILES notation for 5-(2-azidoethoxy)pentan-2-one?
The canonical SMILES for 5-(2-azidoethoxy)pentan-2-one is CC(=O)CCCOCCN=[N+]=[N-].
What is the InChIKey of 5-(2-azidoethoxy)pentan-2-one?
The InChIKey is NUCYFXZNTMIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-7(11)3-2-5-12-6-4-9-10-8/h2-6H2,1H3.
What are the key properties of 5-(2-azidoethoxy)pentan-2-one?
5-(2-azidoethoxy)pentan-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidoethoxy)pentan-2-one is sourced from PubChem (CID 167591449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).