2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone

C9H12N2O2 — CID 7095252

IUPAC2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone
SMILES[N-]=[N+]=CC(=O)[C@@H]1OC12CCCCC2
InChIInChI=1S/C9H12N2O2/c10-11-6-7(12)8-9(13-8)4-2-1-3-5-9/h6,8H,1-5H2/t8-/m0/s1
InChIKeyWKWCSRYSXBXTIG-QMMMGPOBSA-N
MW180.21 g/mol
LogP0.96
Rot. Bonds2

About 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone

2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone (PubChem CID 7095252) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone
PubChem CID7095252
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone
SMILES[N-]=[N+]=CC(=O)[C@@H]1OC12CCCCC2
InChIInChI=1S/C9H12N2O2/c10-11-6-7(12)8-9(13-8)4-2-1-3-5-9/h6,8H,1-5H2/t8-/m0/s1
InChIKeyWKWCSRYSXBXTIG-QMMMGPOBSA-N
XLogP0.96
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.96
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone with MolForge

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Related Compounds

tert-butyl 1-oxaspiro[2.5]octane-2-carboxylate
CID 24973135
ethyl (2S)-1-oxaspiro[2.5]octane-2-carboxylate
CID 908432
2-diazo-1-(oxan-4-yl)ethanone
CID 86013568
methyl 1-oxaspiro[2.3]hexane-2-carboxylate
CID 81251349
methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate
CID 54437342
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
1-oxaspiro[2.5]octane-2-carbaldehyde
CID 11137244
[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate
CID 137313564
1-diazo-4-(1-nitrocyclopentyl)butan-2-one
CID 72522900
2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
CID 136932287
1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one
CID 135501609

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone (CID 7095252) is 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone is [N-]=[N+]=CC(=O)[C@@H]1OC12CCCCC2.
What is the InChIKey of 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone?
The InChIKey is WKWCSRYSXBXTIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-11-6-7(12)8-9(13-8)4-2-1-3-5-9/h6,8H,1-5H2/t8-/m0/s1.
What are the key properties of 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone?
2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone has a molecular weight of 180.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 7095252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).