(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid

C10H10Cl2N2O2 — CID 117063535

IUPAC(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid
SMILESC/C=C(/NNc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl2N2O2/c1-2-8(10(15)16)13-14-9-4-3-6(11)5-7(9)12/h2-5,13-14H,1H3,(H,15,16)/b8-2+
InChIKeyFSQPQASBYIYHRA-KRXBUXKQSA-N
MW261.11 g/mol
LogP2.90
Rot. Bonds4

About (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid

(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid (PubChem CID 117063535) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid
PubChem CID117063535
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid
SMILESC/C=C(/NNc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl2N2O2/c1-2-8(10(15)16)13-14-9-4-3-6(11)5-7(9)12/h2-5,13-14H,1H3,(H,15,16)/b8-2+
InChIKeyFSQPQASBYIYHRA-KRXBUXKQSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid 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

phenyl N-(2,4-dichloroanilino)carbamate
CID 154093412
(Z)-4-(2,4-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266947
1-(2,4-dichlorophenyl)-2-methylhydrazine;ethane
CID 143596741
methyl 2-[4-chloro-2-[(2,4-dichloroanilino)carbamoyl]phenoxy]-3-methoxyprop-2-enoate
CID 54127398
N-(2,4-dichlorophenyl)-3-methylbut-2-enamide
CID 19177474
methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate
CID 134105159
N-(2,4-dichlorophenyl)propanamide
CID 923083
2,4-dichloro-N-methylaniline
CID 2800935
O-prop-2-enyl N-(2,4-dichloroanilino)carbamothioate
CID 19906335
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 142632465

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid?
The IUPAC name of (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid (CID 117063535) is (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid.
What is the SMILES notation for (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid?
The canonical SMILES for (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid is C/C=C(/NNc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid?
The InChIKey is FSQPQASBYIYHRA-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-2-8(10(15)16)13-14-9-4-3-6(11)5-7(9)12/h2-5,13-14H,1H3,(H,15,16)/b8-2+.
What are the key properties of (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid?
(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid has a molecular weight of 261.11 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid is sourced from PubChem (CID 117063535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).