1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione

C14H14N2O2 — CID 15326271

IUPAC1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCc1ccc2[nH]cc(C3CC(=O)N(C)C3=O)c2c1
InChIInChI=1S/C14H14N2O2/c1-8-3-4-12-9(5-8)11(7-15-12)10-6-13(17)16(2)14(10)18/h3-5,7,10,15H,6H2,1-2H3
InChIKeyZANVJRKUBFOJIS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.95
Rot. Bonds1

About 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione

1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 15326271) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID15326271
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCc1ccc2[nH]cc(C3CC(=O)N(C)C3=O)c2c1
InChIInChI=1S/C14H14N2O2/c1-8-3-4-12-9(5-8)11(7-15-12)10-6-13(17)16(2)14(10)18/h3-5,7,10,15H,6H2,1-2H3
InChIKeyZANVJRKUBFOJIS-UHFFFAOYSA-N
XLogP1.95
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 885166
N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-6-yl]benzamide
CID 56595719
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 919331
4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
CID 139258716
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 101365658
3,5-dimethyl-1H-indole
CID 142943492
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
(3R)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 899164
(3S)-3-(1H-indol-3-yl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 899163
(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 1238850
1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 4836109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 15326271) is 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione is Cc1ccc2[nH]cc(C3CC(=O)N(C)C3=O)c2c1.
What is the InChIKey of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is ZANVJRKUBFOJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-3-4-12-9(5-8)11(7-15-12)10-6-13(17)16(2)14(10)18/h3-5,7,10,15H,6H2,1-2H3.
What are the key properties of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 242.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 15326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).