ethyl 2-bromo-2-(methylhydrazinylidene)acetate

C5H9BrN2O2 — CID 86223130

IUPACethyl 2-bromo-2-(methylhydrazinylidene)acetate
SMILESCCOC(=O)C(Br)=NNC
InChIInChI=1S/C5H9BrN2O2/c1-3-10-5(9)4(6)8-7-2/h7H,3H2,1-2H3
InChIKeyZCCFFMDLBMJGCH-UHFFFAOYSA-N
MW209.04 g/mol
LogP0.48
Rot. Bonds3

About ethyl 2-bromo-2-(methylhydrazinylidene)acetate

ethyl 2-bromo-2-(methylhydrazinylidene)acetate (PubChem CID 86223130) has the molecular formula C5H9BrN2O2 and a molecular weight of 209.04 g/mol. Its IUPAC name is ethyl 2-bromo-2-(methylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-(methylhydrazinylidene)acetate
PubChem CID86223130
Molecular FormulaC5H9BrN2O2
Molecular Weight209.04 g/mol
Exact Mass207.98
IUPAC Nameethyl 2-bromo-2-(methylhydrazinylidene)acetate
SMILESCCOC(=O)C(Br)=NNC
InChIInChI=1S/C5H9BrN2O2/c1-3-10-5(9)4(6)8-7-2/h7H,3H2,1-2H3
InChIKeyZCCFFMDLBMJGCH-UHFFFAOYSA-N
XLogP0.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
CID 15561703
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
N-(diethoxymethylideneamino)methanamine
CID 23269000
ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
CID 12606969
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
ethyl (2Z)-3-bromo-2-(methylhydrazinylidene)-4-(2-methylpropylamino)butanoate
CID 170052633
CID 159370772
CID 159370772
ethyl (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-(methylhydrazinylidene)-3-oxopropanoate
CID 143535210
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
CID 164518528
ethyl 2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
CID 155703390
ethyl (Z)-2,3-diamino-3-(methylamino)prop-2-enoate
CID 89294285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-(methylhydrazinylidene)acetate?
The IUPAC name of ethyl 2-bromo-2-(methylhydrazinylidene)acetate (CID 86223130) is ethyl 2-bromo-2-(methylhydrazinylidene)acetate.
What is the SMILES notation for ethyl 2-bromo-2-(methylhydrazinylidene)acetate?
The canonical SMILES for ethyl 2-bromo-2-(methylhydrazinylidene)acetate is CCOC(=O)C(Br)=NNC.
What is the InChIKey of ethyl 2-bromo-2-(methylhydrazinylidene)acetate?
The InChIKey is ZCCFFMDLBMJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN2O2/c1-3-10-5(9)4(6)8-7-2/h7H,3H2,1-2H3.
What are the key properties of ethyl 2-bromo-2-(methylhydrazinylidene)acetate?
ethyl 2-bromo-2-(methylhydrazinylidene)acetate has a molecular weight of 209.04 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-(methylhydrazinylidene)acetate is sourced from PubChem (CID 86223130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).