2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone

C7H6N4O2 — CID 11915801

IUPAC2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone
SMILES[N-]=[N+]=CC(=O)[C@@H]1C[C@H]1C(=O)C=[N+]=[N-]
InChIInChI=1S/C7H6N4O2/c8-10-2-6(12)4-1-5(4)7(13)3-11-9/h2-5H,1H2/t4-,5-/m1/s1
InChIKeyFAHLKJDNAIQZNM-RFZPGFLSSA-N
MW178.15 g/mol
LogP-0.64
Rot. Bonds4

About 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone

2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone (PubChem CID 11915801) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone
PubChem CID11915801
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone
SMILES[N-]=[N+]=CC(=O)[C@@H]1C[C@H]1C(=O)C=[N+]=[N-]
InChIInChI=1S/C7H6N4O2/c8-10-2-6(12)4-1-5(4)7(13)3-11-9/h2-5H,1H2/t4-,5-/m1/s1
InChIKeyFAHLKJDNAIQZNM-RFZPGFLSSA-N
XLogP-0.64
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.64
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

methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate
CID 54437342
1-[1-deuterio-5-[(2E)-2-diazoacetyl]pyrrolidin-2-yl]-2-diazoethanone
CID 140558497
1-[2-[(4-bromophenyl)methyl]cyclopropyl]-2-diazoethanone
CID 140808655
2-diazo-1-(oxan-4-yl)ethanone
CID 86013568
2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone
CID 7095252
2-diazo-1-(4,5-dihydro-3H-pyrazol-3-yl)ethanone
CID 4528915
1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one
CID 135501609
2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
CID 136932287
2-(2-diazoacetyl)oxyethyl 2-diazoacetate
CID 102499938
cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
CID 13108219
2-diazo-1-(8-methyl-7,9-dioxaspiro[4.5]decan-3-yl)ethanone
CID 137153676
tert-butyl N-[4-(2-diazoacetyl)cyclohexyl]carbamate
CID 91519082

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone?
The IUPAC name of 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone (CID 11915801) is 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone.
What is the SMILES notation for 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone?
The canonical SMILES for 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone is [N-]=[N+]=CC(=O)[C@@H]1C[C@H]1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone?
The InChIKey is FAHLKJDNAIQZNM-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-10-2-6(12)4-1-5(4)7(13)3-11-9/h2-5H,1H2/t4-,5-/m1/s1.
What are the key properties of 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone?
2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone has a molecular weight of 178.15 g/mol, XLogP of -0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone is sourced from PubChem (CID 11915801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).