4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione

C24H18N2O3 — CID 89027382

IUPAC4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1C(=C/C=C/c2ccc(O)cc2)C(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H18N2O3/c27-21-16-14-18(15-17-21)8-7-13-22-23(28)25(19-9-3-1-4-10-19)26(24(22)29)20-11-5-2-6-12-20/h1-17,27H/b8-7+
InChIKeyUXBBRLSSBNVPTM-BQYQJAHWSA-N
MW382.42 g/mol
LogP4.33
Rot. Bonds4

About 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione

4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 89027382) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID89027382
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1C(=C/C=C/c2ccc(O)cc2)C(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H18N2O3/c27-21-16-14-18(15-17-21)8-7-13-22-23(28)25(19-9-3-1-4-10-19)26(24(22)29)20-11-5-2-6-12-20/h1-17,27H/b8-7+
InChIKeyUXBBRLSSBNVPTM-BQYQJAHWSA-N
XLogP4.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', '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 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione (CID 89027382) is 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione is O=C1C(=C/C=C/c2ccc(O)cc2)C(=O)N(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is UXBBRLSSBNVPTM-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-21-16-14-18(15-17-21)8-7-13-22-23(28)25(19-9-3-1-4-10-19)26(24(22)29)20-11-5-2-6-12-20/h1-17,27H/b8-7+.
What are the key properties of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione?
4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 382.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 89027382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).