(Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal

C12H12Br2N2O — CID 126535167

IUPAC(Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal
SMILESCc1cccc(N(C)/N=C\C(Br)=C(\Br)C=O)c1
InChIInChI=1S/C12H12Br2N2O/c1-9-4-3-5-10(6-9)16(2)15-7-11(13)12(14)8-17/h3-8H,1-2H3/b12-11-,15-7-
InChIKeyPPENVAROYKDSGB-LLPVMWJUSA-N
MW360.05 g/mol
LogP3.62
Rot. Bonds4

About (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal

(Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal (PubChem CID 126535167) has the molecular formula C12H12Br2N2O and a molecular weight of 360.05 g/mol. Its IUPAC name is (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal.

Molecular Properties

Compound Name(Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal
PubChem CID126535167
Molecular FormulaC12H12Br2N2O
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name(Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal
SMILESCc1cccc(N(C)/N=C\C(Br)=C(\Br)C=O)c1
InChIInChI=1S/C12H12Br2N2O/c1-9-4-3-5-10(6-9)16(2)15-7-11(13)12(14)8-17/h3-8H,1-2H3/b12-11-,15-7-
InChIKeyPPENVAROYKDSGB-LLPVMWJUSA-N
XLogP3.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-(methylideneamino)aniline
CID 90709546
N,N-dimethylformamide;1,3-xylene
CID 175545564
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
1-N,1-N'-dimethyl-1-N,1-N'-bis(3-methylphenyl)prop-1-ene-1,1-diamine
CID 70524092
CID 138691650
CID 138691650
methyl-(3-methylphenyl)sulfamic acid
CID 67996931
CID 145278615
CID 145278615
CID 70331685
CID 70331685
oxaldehydic acid;1,3-xylene
CID 175563573
formic acid;1,3-xylene;hydrochloride
CID 143757587
3-methylaniline;N-methyl-N-phenylformamide
CID 174963220
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal?
The IUPAC name of (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal (CID 126535167) is (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal.
What is the SMILES notation for (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal?
The canonical SMILES for (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal is Cc1cccc(N(C)/N=C\C(Br)=C(\Br)C=O)c1.
What is the InChIKey of (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal?
The InChIKey is PPENVAROYKDSGB-LLPVMWJUSA-N. The full InChI is InChI=1S/C12H12Br2N2O/c1-9-4-3-5-10(6-9)16(2)15-7-11(13)12(14)8-17/h3-8H,1-2H3/b12-11-,15-7-.
What are the key properties of (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal?
(Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal has a molecular weight of 360.05 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-2,3-dibromo-4-[methyl-(3-methylphenyl)hydrazinylidene]but-2-enal is sourced from PubChem (CID 126535167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).