ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate

C12H15BrN2O2 — CID 87613195

IUPACethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N\Nc1cccc(Br)c1C
InChIInChI=1S/C12H15BrN2O2/c1-4-17-12(16)9(3)14-15-11-7-5-6-10(13)8(11)2/h5-7,15H,4H2,1-3H3/b14-9-
InChIKeyIVWZUNZYZKVANN-ZROIWOOFSA-N
MW299.17 g/mol
LogP3.11
Rot. Bonds4

About ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate

ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate (PubChem CID 87613195) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
PubChem CID87613195
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Nameethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N\Nc1cccc(Br)c1C
InChIInChI=1S/C12H15BrN2O2/c1-4-17-12(16)9(3)14-15-11-7-5-6-10(13)8(11)2/h5-7,15H,4H2,1-3H3/b14-9-
InChIKeyIVWZUNZYZKVANN-ZROIWOOFSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.11
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 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl (2E)-2-[(2-bromo-4-methoxyphenyl)hydrazinylidene]propanoate
CID 118341164
ethyl (2E)-2-[(4-bromo-2-ethylphenyl)hydrazinylidene]propanoate
CID 75480535
ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
CID 140687018
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
ethyl 2-(3-bromo-2-methylanilino)butanoate
CID 107633694
ethyl 3-(3-bromo-2-methylanilino)butanoate
CID 107633896
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate (CID 87613195) is ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N\Nc1cccc(Br)c1C.
What is the InChIKey of ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate?
The InChIKey is IVWZUNZYZKVANN-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-4-17-12(16)9(3)14-15-11-7-5-6-10(13)8(11)2/h5-7,15H,4H2,1-3H3/b14-9-.
What are the key properties of ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate?
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate has a molecular weight of 299.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 87613195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).