1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione

C16H14N2O3 — CID 107698079

IUPAC1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
SMILESNc1cc(O)ccc1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H14N2O3/c17-13-8-11(19)6-7-14(13)18-15(20)9-12(16(18)21)10-4-2-1-3-5-10/h1-8,12,19H,9,17H2
InChIKeyPACMEZBXBJVDKY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione

1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 107698079) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID107698079
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
SMILESNc1cc(O)ccc1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H14N2O3/c17-13-8-11(19)6-7-14(13)18-15(20)9-12(16(18)21)10-4-2-1-3-5-10/h1-8,12,19H,9,17H2
InChIKeyPACMEZBXBJVDKY-UHFFFAOYSA-N
XLogP2.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
CID 60703087
1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 107334803
2-(2-amino-4-hydroxyphenyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107698076
1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
CID 62881401
2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
CID 107698096
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 45110765
1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 65430330
1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107698094
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 56649211
1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
CID 122395021
3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 11725029

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione (CID 107698079) is 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione is Nc1cc(O)ccc1N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is PACMEZBXBJVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-13-8-11(19)6-7-14(13)18-15(20)9-12(16(18)21)10-4-2-1-3-5-10/h1-8,12,19H,9,17H2.
What are the key properties of 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione?
1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 282.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 107698079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).