3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione

C15H14N2O6 — CID 91344865

IUPAC3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(O)(C(c2ccccc2)C2(O)CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C15H14N2O6/c18-9-6-14(22,12(20)16-9)11(8-4-2-1-3-5-8)15(23)7-10(19)17-13(15)21/h1-5,11,22-23H,6-7H2,(H,16,18,20)(H,17,19,21)
InChIKeyLOVLNDVZWYZVDN-UHFFFAOYSA-N
MW318.28 g/mol
LogP-1.67
Rot. Bonds3

About 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione

3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione (PubChem CID 91344865) has the molecular formula C15H14N2O6 and a molecular weight of 318.28 g/mol. Its IUPAC name is 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione
PubChem CID91344865
Molecular FormulaC15H14N2O6
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(O)(C(c2ccccc2)C2(O)CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C15H14N2O6/c18-9-6-14(22,12(20)16-9)11(8-4-2-1-3-5-8)15(23)7-10(19)17-13(15)21/h1-5,11,22-23H,6-7H2,(H,16,18,20)(H,17,19,21)
InChIKeyLOVLNDVZWYZVDN-UHFFFAOYSA-N
XLogP-1.67
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-benzhydryl-3-methylpyrrolidine-2,5-dione
CID 43155393
2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid
CID 161371718
3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid
CID 87188920
(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one
CID 134962891
(2S)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
CID 134962581
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 124527239
4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075011
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
(1S,3R)-1-phenylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 15870810
3,3-bis(hydroxymethyl)pyrrolidine-2,5-dione
CID 70519148
5-benzhydryl-1,2,5-triazepane-3,7-dione
CID 22769787

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione (CID 91344865) is 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione is O=C1CC(O)(C(c2ccccc2)C2(O)CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione?
The InChIKey is LOVLNDVZWYZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c18-9-6-14(22,12(20)16-9)11(8-4-2-1-3-5-8)15(23)7-10(19)17-13(15)21/h1-5,11,22-23H,6-7H2,(H,16,18,20)(H,17,19,21).
What are the key properties of 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione?
3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione has a molecular weight of 318.28 g/mol, XLogP of -1.67, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 91344865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).