(4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione

C16H10I2N2O2 — CID 10301426

IUPAC(4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(I)cc1
InChIInChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)/b14-9-
InChIKeyHOZMXIPMJIGFMB-ZROIWOOFSA-N
MW516.08 g/mol
LogP3.36
Rot. Bonds2

About (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione

(4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione (PubChem CID 10301426) has the molecular formula C16H10I2N2O2 and a molecular weight of 516.08 g/mol. Its IUPAC name is (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione
PubChem CID10301426
Molecular FormulaC16H10I2N2O2
Molecular Weight516.08 g/mol
Exact Mass515.88
IUPAC Name(4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(I)cc1
InChIInChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)/b14-9-
InChIKeyHOZMXIPMJIGFMB-ZROIWOOFSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.08
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione?
The IUPAC name of (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione (CID 10301426) is (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione is O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(I)cc1.
What is the InChIKey of (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione?
The InChIKey is HOZMXIPMJIGFMB-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)/b14-9-.
What are the key properties of (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione?
(4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione has a molecular weight of 516.08 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(4-iodophenyl)-4-[(4-iodophenyl)methylidene]pyrazolidine-3,5-dione is sourced from PubChem (CID 10301426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).