2-diazo-1-(oxan-4-yl)ethanone

C7H10N2O2 — CID 86013568

IUPAC2-diazo-1-(oxan-4-yl)ethanone
SMILES[N-]=[N+]=CC(=O)C1CCOCC1
InChIInChI=1S/C7H10N2O2/c8-9-5-7(10)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKeyFLTHOINDHXMOCA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.28
Rot. Bonds2

About 2-diazo-1-(oxan-4-yl)ethanone

2-diazo-1-(oxan-4-yl)ethanone (PubChem CID 86013568) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-diazo-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(oxan-4-yl)ethanone
PubChem CID86013568
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-diazo-1-(oxan-4-yl)ethanone
SMILES[N-]=[N+]=CC(=O)C1CCOCC1
InChIInChI=1S/C7H10N2O2/c8-9-5-7(10)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKeyFLTHOINDHXMOCA-UHFFFAOYSA-N
XLogP0.28
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone
CID 11915801
1-[1-deuterio-5-[(2E)-2-diazoacetyl]pyrrolidin-2-yl]-2-diazoethanone
CID 140558497
2-diazo-1-(8-methyl-7,9-dioxaspiro[4.5]decan-3-yl)ethanone
CID 137153676
oxane-4-carboxamide
CID 13197203
oxane-4-carbonyl fluoride
CID 142990314
2-diazo-1-(4,5-dihydro-3H-pyrazol-3-yl)ethanone
CID 4528915
cyclobutyl(oxan-4-yl)methanone
CID 64982352
(2S)-6-diazo-5-oxo-2-[[(3R)-oxolane-3-carbonyl]amino]hexanoic acid
CID 170437424
N-methyloxane-4-carbohydrazide
CID 116845691
(Z)-3-(dimethylamino)-2-methyl-1-(oxan-4-yl)prop-2-en-1-one
CID 156843091
N',N'-dimethyloxane-4-carbohydrazide
CID 116848029
2-(dimethylamino)-1-(oxan-4-yl)ethanone
CID 79077529

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-diazo-1-(oxan-4-yl)ethanone (CID 86013568) is 2-diazo-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-diazo-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-diazo-1-(oxan-4-yl)ethanone is [N-]=[N+]=CC(=O)C1CCOCC1.
What is the InChIKey of 2-diazo-1-(oxan-4-yl)ethanone?
The InChIKey is FLTHOINDHXMOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-9-5-7(10)6-1-3-11-4-2-6/h5-6H,1-4H2.
What are the key properties of 2-diazo-1-(oxan-4-yl)ethanone?
2-diazo-1-(oxan-4-yl)ethanone has a molecular weight of 154.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 86013568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).