5-azidopentyl acetate

C7H13N3O2 — CID 11159583

IUPAC5-azidopentyl acetate
SMILESCC(=O)OCCCCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O2/c1-7(11)12-6-4-2-3-5-9-10-8/h2-6H2,1H3
InChIKeyHOEHLEBTQOGPBH-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.03
Rot. Bonds6

About 5-azidopentyl acetate

5-azidopentyl acetate (PubChem CID 11159583) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-azidopentyl acetate.

Molecular Properties

Compound Name5-azidopentyl acetate
PubChem CID11159583
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-azidopentyl acetate
SMILESCC(=O)OCCCCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O2/c1-7(11)12-6-4-2-3-5-9-10-8/h2-6H2,1H3
InChIKeyHOEHLEBTQOGPBH-UHFFFAOYSA-N
XLogP2.03
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.03
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

11-acetyloxyundecyl acetate
CID 87784419
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
(12-azido-12-methoxydodecyl) acetate
CID 23652046
5-azidopentyl 3-[bis[3-(5-azidopentoxy)-3-oxopropyl]amino]propanoate
CID 132604980
4-azidopentyl acetate
CID 118324349
tris(2-azidoethyl)-[12-(2-methylprop-2-enoyloxy)dodecyl]azanium
CID 132938447
6-(7-azidoheptoxy)-2-tert-butylhexanoic acid
CID 138694284
8-sulfanyloctyl acetate
CID 19068319
alumane;hexyl acetate
CID 174832794
azane;tetradecyl acetate
CID 87432458
11-sulfanylundecyl acetate
CID 101045220
CID 162323537
CID 162323537

Frequently Asked Questions

What is the IUPAC name of 5-azidopentyl acetate?
The IUPAC name of 5-azidopentyl acetate (CID 11159583) is 5-azidopentyl acetate.
What is the SMILES notation for 5-azidopentyl acetate?
The canonical SMILES for 5-azidopentyl acetate is CC(=O)OCCCCCN=[N+]=[N-].
What is the InChIKey of 5-azidopentyl acetate?
The InChIKey is HOEHLEBTQOGPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-7(11)12-6-4-2-3-5-9-10-8/h2-6H2,1H3.
What are the key properties of 5-azidopentyl acetate?
5-azidopentyl acetate has a molecular weight of 171.20 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidopentyl acetate is sourced from PubChem (CID 11159583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).