ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate

C6H10BrN3O3 — CID 15561703

IUPACethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
SMILESCCOC(=O)/C(Br)=N/NC(=O)NC
InChIInChI=1S/C6H10BrN3O3/c1-3-13-5(11)4(7)9-10-6(12)8-2/h3H2,1-2H3,(H2,8,10,12)/b9-4-
InChIKeyUBDVZNZTJAZIPJ-WTKPLQERSA-N
MW252.07 g/mol
LogP0.19
Rot. Bonds3

About ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate

ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate (PubChem CID 15561703) has the molecular formula C6H10BrN3O3 and a molecular weight of 252.07 g/mol. Its IUPAC name is ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
PubChem CID15561703
Molecular FormulaC6H10BrN3O3
Molecular Weight252.07 g/mol
Exact Mass250.99
IUPAC Nameethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
SMILESCCOC(=O)/C(Br)=N/NC(=O)NC
InChIInChI=1S/C6H10BrN3O3/c1-3-13-5(11)4(7)9-10-6(12)8-2/h3H2,1-2H3,(H2,8,10,12)/b9-4-
InChIKeyUBDVZNZTJAZIPJ-WTKPLQERSA-N
XLogP0.19
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 50.19
H-Bond Donors ≤ 52
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 2-bromo-2-(methylhydrazinylidene)acetate
CID 86223130
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
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ethyl N-(methylcarbamoylamino)carbamate
CID 568737
1-[(E)-butan-2-ylideneamino]-3-methylurea
CID 55220205
ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
CID 12606969
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
CID 159370772
CID 159370772
ethyl (Z)-2,3-diamino-3-(methylamino)prop-2-enoate
CID 89294285
diethyl 2-(carbamoylhydrazinylidene)butanedioate
CID 131879435
ethyl (2R)-3,3,3-trifluoro-2-(methylcarbamoylamino)propanoate
CID 40557744
ethyl (3E)-3-(carbamoylhydrazinylidene)-2-oxobutanoate
CID 10845739
ethyl (2Z)-2-(carbamothioylhydrazinylidene)-2-triethylsilylacetate
CID 102400167

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate?
The IUPAC name of ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate (CID 15561703) is ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate is CCOC(=O)/C(Br)=N/NC(=O)NC.
What is the InChIKey of ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate?
The InChIKey is UBDVZNZTJAZIPJ-WTKPLQERSA-N. The full InChI is InChI=1S/C6H10BrN3O3/c1-3-13-5(11)4(7)9-10-6(12)8-2/h3H2,1-2H3,(H2,8,10,12)/b9-4-.
What are the key properties of ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate?
ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate has a molecular weight of 252.07 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate is sourced from PubChem (CID 15561703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).