ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate

C11H11BrN2O3 — CID 6883462

IUPACethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O3/c1-2-17-11(16)10(15)14-13-7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H,14,15)/b13-7+
InChIKeyBDHOYXFMLJHGAY-NTUHNPAUSA-N
MW299.12 g/mol
LogP1.46
Rot. Bonds3

About ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate

ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate (PubChem CID 6883462) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate
PubChem CID6883462
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Nameethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O3/c1-2-17-11(16)10(15)14-13-7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H,14,15)/b13-7+
InChIKeyBDHOYXFMLJHGAY-NTUHNPAUSA-N
XLogP1.46
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

ethyl [(2E)-2-(4-fluorobenzylidene)hydrazinyl](oxo)acetate
CID 6883426
ethyl [(2E)-2-(2-fluorobenzylidene)hydrazinyl](oxo)acetate
CID 6870340
2,2'-oxybis[N'-(4-bromobenzylidene)acetohydrazide]
CID 5334121
ethyl N-[(E)-(3-bromophenyl)methylideneamino]carbamate
CID 6901376
N-[(E)-(2-bromophenyl)methyleneamino]-2-[2-[(2E)-2-[(2-bromophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155924616
N-[(E)-(3-bromophenyl)methyleneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155925365
Ethyl 2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 1920348
Ethyl 2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 1649134
Ethyl 2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 1897333
ethyl N-[(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 3614593
ethyl 2-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 5560822
ethyl 2-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 5598594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate (CID 6883462) is ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)N/N=C/c1cccc(Br)c1.
What is the InChIKey of ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate?
The InChIKey is BDHOYXFMLJHGAY-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-2-17-11(16)10(15)14-13-7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H,14,15)/b13-7+.
What are the key properties of ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate?
ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate has a molecular weight of 299.12 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 6883462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).