2-propanoyloxycyclobutane-1-diazonium

C7H11N2O2+ — CID 175484936

IUPAC2-propanoyloxycyclobutane-1-diazonium
SMILESCCC(=O)OC1CCC1[N+]#N
InChIInChI=1S/C7H11N2O2/c1-2-7(10)11-6-4-3-5(6)9-8/h5-6H,2-4H2,1H3/q+1
InChIKeyAYQHXLPXBXPLDS-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.32
Rot. Bonds2

About 2-propanoyloxycyclobutane-1-diazonium

2-propanoyloxycyclobutane-1-diazonium (PubChem CID 175484936) has the molecular formula C7H11N2O2+ and a molecular weight of 155.18 g/mol. Its IUPAC name is 2-propanoyloxycyclobutane-1-diazonium.

Molecular Properties

Compound Name2-propanoyloxycyclobutane-1-diazonium
PubChem CID175484936
Molecular FormulaC7H11N2O2+
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name2-propanoyloxycyclobutane-1-diazonium
SMILESCCC(=O)OC1CCC1[N+]#N
InChIInChI=1S/C7H11N2O2/c1-2-7(10)11-6-4-3-5(6)9-8/h5-6H,2-4H2,1H3/q+1
InChIKeyAYQHXLPXBXPLDS-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylcyclohexyl) propanoate
CID 129231866
(2-methylcyclohexyl) propanoate
CID 546179
[(1R,2S)-2-cyanocyclopentyl] propanoate
CID 124660836
[(1S,2S)-2-aminocyclohexyl] propanoate
CID 67429872
(2-propylcyclohexyl) propanoate
CID 101311520
[(2S,3R,5R,6R)-2,3,4,5,6-pentaacetyloxycyclohexyl] propanoate
CID 124851501
cyclohexyl propanoate;dihydrochloride
CID 172803130
(3-acetyloxycyclohexyl) propanoate;ethane
CID 142313832
[(3R,4S,5R,6R)-6-hydroxy-4,5-di(propanoyloxy)oxan-3-yl] propanoate
CID 137357258
[(2S,4R,5S)-2,5-di(propanoyloxy)oxan-4-yl] propanoate
CID 162450779
[(1R,2R,3S)-2,3,4,4-tetramethylcyclopentyl] propanoate
CID 67458091
acetamide;cyclopentyl propanoate
CID 143322096

Frequently Asked Questions

What is the IUPAC name of 2-propanoyloxycyclobutane-1-diazonium?
The IUPAC name of 2-propanoyloxycyclobutane-1-diazonium (CID 175484936) is 2-propanoyloxycyclobutane-1-diazonium.
What is the SMILES notation for 2-propanoyloxycyclobutane-1-diazonium?
The canonical SMILES for 2-propanoyloxycyclobutane-1-diazonium is CCC(=O)OC1CCC1[N+]#N.
What is the InChIKey of 2-propanoyloxycyclobutane-1-diazonium?
The InChIKey is AYQHXLPXBXPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O2/c1-2-7(10)11-6-4-3-5(6)9-8/h5-6H,2-4H2,1H3/q+1.
What are the key properties of 2-propanoyloxycyclobutane-1-diazonium?
2-propanoyloxycyclobutane-1-diazonium has a molecular weight of 155.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyloxycyclobutane-1-diazonium is sourced from PubChem (CID 175484936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).