1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione

C12H13NO5 — CID 91699452

IUPAC1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1OC(O)OCc1ccccc1
InChIInChI=1S/C12H13NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5,12,16H,6-8H2
InChIKeyIMTAWFYFZLQYLQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.56
Rot. Bonds5

About 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione

1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione (PubChem CID 91699452) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione
PubChem CID91699452
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1OC(O)OCc1ccccc1
InChIInChI=1S/C12H13NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5,12,16H,6-8H2
InChIKeyIMTAWFYFZLQYLQ-UHFFFAOYSA-N
XLogP0.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione (CID 91699452) is 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione is O=C1CCC(=O)N1OC(O)OCc1ccccc1.
What is the InChIKey of 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione?
The InChIKey is IMTAWFYFZLQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5,12,16H,6-8H2.
What are the key properties of 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione?
1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione has a molecular weight of 251.24 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(phenylmethoxy)methoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 91699452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).