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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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).