3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one

C13H14N2O — CID 134811497

IUPAC3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
SMILESCc1[nH]c2ccccc2c1C1CCNC1=O
InChIInChI=1S/C13H14N2O/c1-8-12(10-6-7-14-13(10)16)9-4-2-3-5-11(9)15-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)
InChIKeyQGFAUSBOFULQMD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.08
Rot. Bonds1

About 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one

3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one (PubChem CID 134811497) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
PubChem CID134811497
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
SMILESCc1[nH]c2ccccc2c1C1CCNC1=O
InChIInChI=1S/C13H14N2O/c1-8-12(10-6-7-14-13(10)16)9-4-2-3-5-11(9)15-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)
InChIKeyQGFAUSBOFULQMD-UHFFFAOYSA-N
XLogP2.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-1H-indol-3-yl)piperazin-2-one
CID 82288488
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 17272196
(5S)-5-(1H-indol-3-yl)-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one
CID 102149206
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
CID 135522036
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833657
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one (CID 134811497) is 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one is Cc1[nH]c2ccccc2c1C1CCNC1=O.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one?
The InChIKey is QGFAUSBOFULQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-12(10-6-7-14-13(10)16)9-4-2-3-5-11(9)15-8/h2-5,10,15H,6-7H2,1H3,(H,14,16).
What are the key properties of 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one?
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 134811497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).