1-(1-methylindol-3-yl)pyrrolidin-2-one

C13H14N2O — CID 166081432

IUPAC1-(1-methylindol-3-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCCC2=O)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-14-9-12(15-8-4-7-13(15)16)10-5-2-3-6-11(10)14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyPHFRFHFAPSGPDC-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.31
Rot. Bonds1

About 1-(1-methylindol-3-yl)pyrrolidin-2-one

1-(1-methylindol-3-yl)pyrrolidin-2-one (PubChem CID 166081432) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)pyrrolidin-2-one
PubChem CID166081432
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(1-methylindol-3-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCCC2=O)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-14-9-12(15-8-4-7-13(15)16)10-5-2-3-6-11(10)14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyPHFRFHFAPSGPDC-UHFFFAOYSA-N
XLogP2.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
CID 8823945
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
4-(1-methylindol-3-yl)morpholine
CID 12530824
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate
CID 69359615
2-(9-oxoacridin-10-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16583770
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
CID 82482197
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
3-bromo-1-methylquinolin-4-one
CID 23279589
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-methylindol-3-yl)pyrrolidin-2-one (CID 166081432) is 1-(1-methylindol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylindol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylindol-3-yl)pyrrolidin-2-one is Cn1cc(N2CCCC2=O)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)pyrrolidin-2-one?
The InChIKey is PHFRFHFAPSGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-9-12(15-8-4-7-13(15)16)10-5-2-3-6-11(10)14/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)pyrrolidin-2-one?
1-(1-methylindol-3-yl)pyrrolidin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 166081432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).