3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione

C13H12N2O3 — CID 118520343

IUPAC3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(CO)cc23)C(=O)N1
InChIInChI=1S/C13H12N2O3/c16-6-7-1-2-11-8(3-7)10(5-14-11)9-4-12(17)15-13(9)18/h1-3,5,9,14,16H,4,6H2,(H,15,17,18)
InChIKeyPIYZASGZELZCSC-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.79
Rot. Bonds2

About 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione

3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione (PubChem CID 118520343) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione
PubChem CID118520343
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(CO)cc23)C(=O)N1
InChIInChI=1S/C13H12N2O3/c16-6-7-1-2-11-8(3-7)10(5-14-11)9-4-12(17)15-13(9)18/h1-3,5,9,14,16H,4,6H2,(H,15,17,18)
InChIKeyPIYZASGZELZCSC-UHFFFAOYSA-N
XLogP0.79
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-isocyano-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 123229041
3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240717
(3S)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677171
(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677172
3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 118511986
3-(2,5-dioxopyrrolidin-3-yl)-1H-indole-6-carbonitrile
CID 118512091
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240712
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512063
3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione (CID 118520343) is 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3ccc(CO)cc23)C(=O)N1.
What is the InChIKey of 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione?
The InChIKey is PIYZASGZELZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-6-7-1-2-11-8(3-7)10(5-14-11)9-4-12(17)15-13(9)18/h1-3,5,9,14,16H,4,6H2,(H,15,17,18).
What are the key properties of 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione?
3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione has a molecular weight of 244.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118520343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).