3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione

C13H16N2O4 — CID 57388214

IUPAC3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C13H16N2O4/c1-14(2)15-12(18)6-9(13(15)19)5-8-3-4-10(16)7-11(8)17/h3-4,7,9,16-17H,5-6H2,1-2H3
InChIKeyQSNUPLVOJFJKPL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.49
Rot. Bonds3

About 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione

3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione (PubChem CID 57388214) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione
PubChem CID57388214
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C13H16N2O4/c1-14(2)15-12(18)6-9(13(15)19)5-8-3-4-10(16)7-11(8)17/h3-4,7,9,16-17H,5-6H2,1-2H3
InChIKeyQSNUPLVOJFJKPL-UHFFFAOYSA-N
XLogP0.49
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione (CID 57388214) is 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione is CN(C)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione?
The InChIKey is QSNUPLVOJFJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14(2)15-12(18)6-9(13(15)19)5-8-3-4-10(16)7-11(8)17/h3-4,7,9,16-17H,5-6H2,1-2H3.
What are the key properties of 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione?
3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 57388214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).