4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione

C19H16N2O3 — CID 102476539

IUPAC4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione
SMILESCc1ccc(/N=c2/c(O)c(Nc3ccc(C)cc3)c(=O)c2=O)cc1
InChIInChI=1S/C19H16N2O3/c1-11-3-7-13(8-4-11)20-15-17(22)16(19(24)18(15)23)21-14-9-5-12(2)6-10-14/h3-10,20,22H,1-2H3/b21-16-
InChIKeyRRZPIUUODFCDFL-PGMHBOJBSA-N
MW320.35 g/mol
LogP2.58
Rot. Bonds3

About 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione

4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione (PubChem CID 102476539) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione.

Molecular Properties

Compound Name4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione
PubChem CID102476539
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione
SMILESCc1ccc(/N=c2/c(O)c(Nc3ccc(C)cc3)c(=O)c2=O)cc1
InChIInChI=1S/C19H16N2O3/c1-11-3-7-13(8-4-11)20-15-17(22)16(19(24)18(15)23)21-14-9-5-12(2)6-10-14/h3-10,20,22H,1-2H3/b21-16-
InChIKeyRRZPIUUODFCDFL-PGMHBOJBSA-N
XLogP2.58
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione?
The IUPAC name of 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione (CID 102476539) is 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione.
What is the SMILES notation for 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione?
The canonical SMILES for 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione is Cc1ccc(/N=c2/c(O)c(Nc3ccc(C)cc3)c(=O)c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione?
The InChIKey is RRZPIUUODFCDFL-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-3-7-13(8-4-11)20-15-17(22)16(19(24)18(15)23)21-14-9-5-12(2)6-10-14/h3-10,20,22H,1-2H3/b21-16-.
What are the key properties of 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione?
4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione has a molecular weight of 320.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methylanilino)-5-(4-methylphenyl)iminocyclopent-3-ene-1,2-dione is sourced from PubChem (CID 102476539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).