1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione

C18H16N2O2 — CID 5469827

IUPAC1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione
SMILESCN1C(=O)CC(=O)N1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-19-17(21)13-18(22)20(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12+
InChIKeyJKSWGDKENWSXIF-FOWTUZBSSA-N
MW292.34 g/mol
LogP2.79
Rot. Bonds3

About 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione

1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione (PubChem CID 5469827) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione
PubChem CID5469827
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione
SMILESCN1C(=O)CC(=O)N1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-19-17(21)13-18(22)20(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12+
InChIKeyJKSWGDKENWSXIF-FOWTUZBSSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione?
The IUPAC name of 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione (CID 5469827) is 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione?
The canonical SMILES for 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione is CN1C(=O)CC(=O)N1/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione?
The InChIKey is JKSWGDKENWSXIF-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-19-17(21)13-18(22)20(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12+.
What are the key properties of 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione?
1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione has a molecular weight of 292.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione is sourced from PubChem (CID 5469827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).