(2E)-2-diazo-1,2-diphenylethanone

C14H10N2O — CID 135932817

IUPAC(2E)-2-diazo-1,2-diphenylethanone
SMILES[N-]=[N+]=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10H
InChIKeyLVLXAIROXMLXJY-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.59
Rot. Bonds3

About (2E)-2-diazo-1,2-diphenylethanone

(2E)-2-diazo-1,2-diphenylethanone (PubChem CID 135932817) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is (2E)-2-diazo-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-diazo-1,2-diphenylethanone
PubChem CID135932817
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name(2E)-2-diazo-1,2-diphenylethanone
SMILES[N-]=[N+]=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10H
InChIKeyLVLXAIROXMLXJY-UHFFFAOYSA-N
XLogP2.59
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', '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

Benzophenone
CID 3102
2-Phenylacetophenone
CID 9948
Dihydrochalcone
CID 64802
Hydrazonodeoxybenzoin
CID 5538956
(1E)-1,2-Diphenyl-1,2-ethanedione 1-oxime
CID 6399014
Ethanone, diazodiphenyl-
CID 137954
Benzil (Z)-monoxime
CID 6398987
(2H10)Benzophenone
CID 3035154
Diphenyl(~13~C)methanone
CID 11171364
10-Iminophenanthren-9-one
CID 283892
Diazoacetophenone
CID 18667
p-Methyl-2-diazoacetophenone
CID 140209

Frequently Asked Questions

What is the IUPAC name of (2E)-2-diazo-1,2-diphenylethanone?
The IUPAC name of (2E)-2-diazo-1,2-diphenylethanone (CID 135932817) is (2E)-2-diazo-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-diazo-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-diazo-1,2-diphenylethanone is [N-]=[N+]=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-diazo-1,2-diphenylethanone?
The InChIKey is LVLXAIROXMLXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10H.
What are the key properties of (2E)-2-diazo-1,2-diphenylethanone?
(2E)-2-diazo-1,2-diphenylethanone has a molecular weight of 222.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-diazo-1,2-diphenylethanone is sourced from PubChem (CID 135932817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).