1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione

C19H18N2O3 — CID 110581960

IUPAC1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-12-4-6-13(7-5-12)16-17(22)19(24)21(18(16)23)15-10-8-14(9-11-15)20(2)3/h4-11,22H,1-3H3
InChIKeyBZCGQEZBFMWBNQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione

1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110581960) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110581960
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-12-4-6-13(7-5-12)16-17(22)19(24)21(18(16)23)15-10-8-14(9-11-15)20(2)3/h4-11,22H,1-3H3
InChIKeyBZCGQEZBFMWBNQ-UHFFFAOYSA-N
XLogP2.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582019
1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581172
1-[3-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584410
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
2-ethoxyethyl 4-[3-hydroxy-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]benzoate
CID 110582070
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961
1-[4-(dimethylamino)phenyl]-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571794
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571769
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110581960) is 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is BZCGQEZBFMWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-4-6-13(7-5-12)16-17(22)19(24)21(18(16)23)15-10-8-14(9-11-15)20(2)3/h4-11,22H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).