2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione

C13H14N2O4 — CID 67091098

IUPAC2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@]1(CO)CCCN1O
InChIInChI=1S/C13H14N2O4/c16-8-13(6-3-7-14(13)19)15-11(17)9-4-1-2-5-10(9)12(15)18/h1-2,4-5,16,19H,3,6-8H2/t13-/m1/s1
InChIKeyYXXPRXAVDYWQQF-CYBMUJFWSA-N
MW262.26 g/mol
LogP0.46
Rot. Bonds2

About 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione

2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione (PubChem CID 67091098) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione
PubChem CID67091098
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@]1(CO)CCCN1O
InChIInChI=1S/C13H14N2O4/c16-8-13(6-3-7-14(13)19)15-11(17)9-4-1-2-5-10(9)12(15)18/h1-2,4-5,16,19H,3,6-8H2/t13-/m1/s1
InChIKeyYXXPRXAVDYWQQF-CYBMUJFWSA-N
XLogP0.46
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione (CID 67091098) is 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@]1(CO)CCCN1O.
What is the InChIKey of 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione?
The InChIKey is YXXPRXAVDYWQQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-8-13(6-3-7-14(13)19)15-11(17)9-4-1-2-5-10(9)12(15)18/h1-2,4-5,16,19H,3,6-8H2/t13-/m1/s1.
What are the key properties of 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione?
2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione has a molecular weight of 262.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 67091098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).