(1E)-2-oxo-2-phenylethanehydrazonoyl chloride

C8H7ClN2O — CID 45080811

IUPAC(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
SMILESN/N=C(/Cl)C(=O)c1ccccc1
InChIInChI=1S/C8H7ClN2O/c9-8(11-10)7(12)6-4-2-1-3-5-6/h1-5H,10H2/b11-8+
InChIKeySLHVYXCNTLXVCU-DHZHZOJOSA-N
MW182.61 g/mol
LogP1.38
Rot. Bonds2

About (1E)-2-oxo-2-phenylethanehydrazonoyl chloride

(1E)-2-oxo-2-phenylethanehydrazonoyl chloride (PubChem CID 45080811) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (1E)-2-oxo-2-phenylethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
PubChem CID45080811
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
SMILESN/N=C(/Cl)C(=O)c1ccccc1
InChIInChI=1S/C8H7ClN2O/c9-8(11-10)7(12)6-4-2-1-3-5-6/h1-5H,10H2/b11-8+
InChIKeySLHVYXCNTLXVCU-DHZHZOJOSA-N
XLogP1.38
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
2,3-dioxo-3-phenylpropanoyl chloride
CID 87558488
benzoyl chloride;hydrazine
CID 19933227
acetyl chloride;benzamide
CID 160666659
1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
CID 173282909

Frequently Asked Questions

What is the IUPAC name of (1E)-2-oxo-2-phenylethanehydrazonoyl chloride?
The IUPAC name of (1E)-2-oxo-2-phenylethanehydrazonoyl chloride (CID 45080811) is (1E)-2-oxo-2-phenylethanehydrazonoyl chloride.
What is the SMILES notation for (1E)-2-oxo-2-phenylethanehydrazonoyl chloride?
The canonical SMILES for (1E)-2-oxo-2-phenylethanehydrazonoyl chloride is N/N=C(/Cl)C(=O)c1ccccc1.
What is the InChIKey of (1E)-2-oxo-2-phenylethanehydrazonoyl chloride?
The InChIKey is SLHVYXCNTLXVCU-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-8(11-10)7(12)6-4-2-1-3-5-6/h1-5H,10H2/b11-8+.
What are the key properties of (1E)-2-oxo-2-phenylethanehydrazonoyl chloride?
(1E)-2-oxo-2-phenylethanehydrazonoyl chloride has a molecular weight of 182.61 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-oxo-2-phenylethanehydrazonoyl chloride is sourced from PubChem (CID 45080811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).