3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione

C17H15InN2O2 — CID 140506377

IUPAC3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione
SMILESCn1cc(C2C(=O)NC(=O)C2[In]2C=CC=C2)c2ccccc21
InChIInChI=1S/C13H11N2O2.C4H4.In/c1-15-7-10(8-4-2-3-5-11(8)15)9-6-12(16)14-13(9)17;1-3-4-2;/h2-7,9H,1H3,(H,14,16,17);1-4H;
InChIKeyCDZCQDXQSHMDNM-UHFFFAOYSA-N
MW394.14 g/mol
LogP1.99
Rot. Bonds2

About 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione

3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione (PubChem CID 140506377) has the molecular formula C17H15InN2O2 and a molecular weight of 394.14 g/mol. Its IUPAC name is 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione
PubChem CID140506377
Molecular FormulaC17H15InN2O2
Molecular Weight394.14 g/mol
Exact Mass394.02
IUPAC Name3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione
SMILESCn1cc(C2C(=O)NC(=O)C2[In]2C=CC=C2)c2ccccc21
InChIInChI=1S/C13H11N2O2.C4H4.In/c1-15-7-10(8-4-2-3-5-11(8)15)9-6-12(16)14-13(9)17;1-3-4-2;/h2-7,9H,1H3,(H,14,16,17);1-4H;
InChIKeyCDZCQDXQSHMDNM-UHFFFAOYSA-N
XLogP1.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.14
LogP ≤ 51.99
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

(6R)-6-(1-methylindol-3-yl)-5-oxo-3-phenyl-4,6-dihydro-1,2,4-triazine-1-carbaldehyde
CID 135737693
(1S,8R,9S)-4-benzyl-8-(1-methylindol-3-yl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
CID 51566042
(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
CID 53348652
1-ethyl-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116981002
[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
CID 82622276
ethyl 6-(1-methylindol-3-yl)-5-oxo-4,6-dihydro-1,2,4-triazine-1-carboxylate
CID 137224471
(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide
CID 139048963
5-(1-methylindol-3-yl)-2,5-dihydropyran-6-one
CID 71739897
1-(2-hydroxyethyl)-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116979364
(6S)-1-benzoyl-6-(1-methylindol-3-yl)-3-phenyl-4,6-dihydro-1,2,4-triazin-5-one
CID 135589728
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450

Frequently Asked Questions

What is the IUPAC name of 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione (CID 140506377) is 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione is Cn1cc(C2C(=O)NC(=O)C2[In]2C=CC=C2)c2ccccc21.
What is the InChIKey of 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is CDZCQDXQSHMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O2.C4H4.In/c1-15-7-10(8-4-2-3-5-11(8)15)9-6-12(16)14-13(9)17;1-3-4-2;/h2-7,9H,1H3,(H,14,16,17);1-4H;.
What are the key properties of 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 394.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(indigol-1-yl)-4-(1-methylindol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 140506377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).