3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione

C15H10N2O3 — CID 167009255

IUPAC3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)c3cccc4cccc2c34)C(=O)N1
InChIInChI=1S/C15H10N2O3/c18-12-7-11(14(19)16-12)17-10-6-2-4-8-3-1-5-9(13(8)10)15(17)20/h1-6,11H,7H2,(H,16,18,19)
InChIKeyJDKMNCISEDLSIC-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.22
Rot. Bonds1

About 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione

3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione (PubChem CID 167009255) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
PubChem CID167009255
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)c3cccc4cccc2c34)C(=O)N1
InChIInChI=1S/C15H10N2O3/c18-12-7-11(14(19)16-12)17-10-6-2-4-8-3-1-5-9(13(8)10)15(17)20/h1-6,11H,7H2,(H,16,18,19)
InChIKeyJDKMNCISEDLSIC-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;3-(2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167699772
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167009203
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328
3-(10-bromo-3-oxo-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-2-yl)piperidine-2,6-dione
CID 163259237
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione
CID 163258710
3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259374
3-(10-bromo-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 167009359

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione (CID 167009255) is 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2C(=O)c3cccc4cccc2c34)C(=O)N1.
What is the InChIKey of 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is JDKMNCISEDLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-12-7-11(14(19)16-12)17-10-6-2-4-8-3-1-5-9(13(8)10)15(17)20/h1-6,11H,7H2,(H,16,18,19).
What are the key properties of 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione?
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 266.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 167009255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).