methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate

C12H15BrN2O2 — CID 25179457

IUPACmethyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/NN(C)C)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-15(2)14-8-10(12(16)17-3)9-6-4-5-7-11(9)13/h4-8,14H,1-3H3/b10-8+
InChIKeyYOCPWGUFHDRPLO-CSKARUKUSA-N
MW299.17 g/mol
LogP2.03
Rot. Bonds4

About methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate

methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate (PubChem CID 25179457) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate
PubChem CID25179457
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Namemethyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/NN(C)C)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-15(2)14-8-10(12(16)17-3)9-6-4-5-7-11(9)13/h4-8,14H,1-3H3/b10-8+
InChIKeyYOCPWGUFHDRPLO-CSKARUKUSA-N
XLogP2.03
TPSA41.57 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-bromophenyl)-2-oxoacetate
CID 10890094
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
methyl (E)-3-(2-bromophenyl)-2-(2-cyanophenyl)prop-2-enoate
CID 54770772
methyl 2-[1-(2-bromo-4,5-dimethoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoate
CID 67756121
dimethyl 2-[(2-bromophenyl)methylidene]propanedioate
CID 121015852
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
(2-bromophenyl)-dimethoxyphosphorylmethanone
CID 639026
2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
2-bromo-N-tert-butyl-N-methylbenzamide
CID 4597758

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate?
The IUPAC name of methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate (CID 25179457) is methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate is COC(=O)/C(=C/NN(C)C)c1ccccc1Br.
What is the InChIKey of methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate?
The InChIKey is YOCPWGUFHDRPLO-CSKARUKUSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-15(2)14-8-10(12(16)17-3)9-6-4-5-7-11(9)13/h4-8,14H,1-3H3/b10-8+.
What are the key properties of methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate?
methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate has a molecular weight of 299.17 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate is sourced from PubChem (CID 25179457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).