ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate

C11H13BrN2O2 — CID 7340487

IUPACethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-3-16-11(15)8(2)13-14-10-6-4-9(12)5-7-10/h4-7,14H,3H2,1-2H3/b13-8+
InChIKeyGLSYARFJOAOUKJ-MDWZMJQESA-N
MW285.14 g/mol
LogP2.80
Rot. Bonds4

About ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate

ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate (PubChem CID 7340487) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate
PubChem CID7340487
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Nameethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-3-16-11(15)8(2)13-14-10-6-4-9(12)5-7-10/h4-7,14H,3H2,1-2H3/b13-8+
InChIKeyGLSYARFJOAOUKJ-MDWZMJQESA-N
XLogP2.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate (CID 7340487) is ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N/Nc1ccc(Br)cc1.
What is the InChIKey of ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate?
The InChIKey is GLSYARFJOAOUKJ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-3-16-11(15)8(2)13-14-10-6-4-9(12)5-7-10/h4-7,14H,3H2,1-2H3/b13-8+.
What are the key properties of ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate?
ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate has a molecular weight of 285.14 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 7340487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).