1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H18N2O3 — CID 107698094

IUPAC1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(O)cc2N)C1=O
InChIInChI=1S/C14H18N2O3/c1-8(2)14(3)7-12(18)16(13(14)19)11-5-4-9(17)6-10(11)15/h4-6,8,17H,7,15H2,1-3H3
InChIKeyWAXOENMYRXFFQE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 107698094) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID107698094
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(O)cc2N)C1=O
InChIInChI=1S/C14H18N2O3/c1-8(2)14(3)7-12(18)16(13(14)19)11-5-4-9(17)6-10(11)15/h4-6,8,17H,7,15H2,1-3H3
InChIKeyWAXOENMYRXFFQE-UHFFFAOYSA-N
XLogP1.90
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
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-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437281
1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437275
1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 114259696
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 43437399
1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61350558
4-fluoro-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 60828845
3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 43437495
1-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 60813659
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63650964
2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
CID 107698096
2-(2-amino-4-hydroxyphenyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107698076
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 107698094) is 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(c2ccc(O)cc2N)C1=O.
What is the InChIKey of 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is WAXOENMYRXFFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)14(3)7-12(18)16(13(14)19)11-5-4-9(17)6-10(11)15/h4-6,8,17H,7,15H2,1-3H3.
What are the key properties of 1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.90, 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-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 107698094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).