(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide

C9H8Cl2N2O — CID 5924112

IUPAC(E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
SMILESC1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NN
InChIInChI=1S/C9H8Cl2N2O/c10-7-3-1-6(8(11)5-7)2-4-9(14)13-12/h1-5H,12H2,(H,13,14)/b4-2+
InChIKeyWWOAAMJEUHUILM-DUXPYHPUSA-N
MW231.08 g/mol
LogP2.00
Rot. Bonds2

About (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide

(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide (PubChem CID 5924112) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
PubChem CID5924112
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name(E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
SMILESC1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NN
InChIInChI=1S/C9H8Cl2N2O/c10-7-3-1-6(8(11)5-7)2-4-9(14)13-12/h1-5H,12H2,(H,13,14)/b4-2+
InChIKeyWWOAAMJEUHUILM-DUXPYHPUSA-N
XLogP2.00
TPSA55.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity233

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

(2E)-3-(2,4-Dichlorophenyl)-N-hydroxyacrylamide
CID 11708451
p-Chlorocinnamic acid hydrazide
CID 5891573
2-[(2,4-Dichlorobenzyl)thio]acetohydrazide
CID 1483486
(E)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683296
(Z)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683308
4-Chlorocinnamamide
CID 5364144
(E)-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6366837
2-Cyano-3-(2,4-dichlorophenyl)prop-2-enamide
CID 678515
4-[2-(2,4-Dichlorophenyl)ethyl]-5-propyl-1,2-dihydropyrazol-3-one
CID 172434059
2-Cyano-3-(2,4-dichloro-phenyl)-acrylamide
CID 3936152
(E)-3-(2-chlorophenyl)prop-2-enamide
CID 966069
(2E)-3-(2,4-dichlorophenyl)-2-propenamide
CID 1277610

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
The IUPAC name of (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide (CID 5924112) is (E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
The canonical SMILES for (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide is C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NN.
What is the InChIKey of (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
The InChIKey is WWOAAMJEUHUILM-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-7-3-1-6(8(11)5-7)2-4-9(14)13-12/h1-5H,12H2,(H,13,14)/b4-2+.
What are the key properties of (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide has a molecular weight of 231.08 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 5924112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).