1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione

C14H14N2O3 — CID 2210648

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C14H14N2O3/c17-12(15-7-3-4-8-15)9-16-11-6-2-1-5-10(11)13(18)14(16)19/h1-2,5-6H,3-4,7-9H2
InChIKeyLGXFKJWXEFXKER-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione

1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione (PubChem CID 2210648) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
PubChem CID2210648
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C14H14N2O3/c17-12(15-7-3-4-8-15)9-16-11-6-2-1-5-10(11)13(18)14(16)19/h1-2,5-6H,3-4,7-9H2
InChIKeyLGXFKJWXEFXKER-UHFFFAOYSA-N
XLogP0.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isatin
CID 7054
Acetylisatin
CID 11321
1-Phenylisatin
CID 12884
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-Methylisatin
CID 16358
1-Benzylisatin
CID 264734
1-((4-bromophenyl)methyl)-2,3-dihydro-1H-indole-2,3-dione
CID 3008304
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
5-Iodoisatin
CID 88695
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
CID 43402
1-Piperidin-1-ylmethyl-1H-indole-2,3-dione
CID 262695

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione (CID 2210648) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione is O=C1C(=O)N(CC(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The InChIKey is LGXFKJWXEFXKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(15-7-3-4-8-15)9-16-11-6-2-1-5-10(11)13(18)14(16)19/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione has a molecular weight of 258.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 2210648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).