2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile

C16H17N3O — CID 649127

IUPAC2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile
SMILESCc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C16H17N3O/c1-12-14(10-17)13-6-2-3-7-15(13)19(12)11-16(20)18-8-4-5-9-18/h2-3,6-7H,4-5,8-9,11H2,1H3
InChIKeyKZESHXARDBIGIJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.44
Rot. Bonds2

About 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile

2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile (PubChem CID 649127) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile
PubChem CID649127
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile
SMILESCc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C16H17N3O/c1-12-14(10-17)13-6-2-3-7-15(13)19(12)11-16(20)18-8-4-5-9-18/h2-3,6-7H,4-5,8-9,11H2,1H3
InChIKeyKZESHXARDBIGIJ-UHFFFAOYSA-N
XLogP2.44
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile?
The IUPAC name of 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile (CID 649127) is 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile.
What is the SMILES notation for 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile?
The canonical SMILES for 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile is Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile?
The InChIKey is KZESHXARDBIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-14(10-17)13-6-2-3-7-15(13)19(12)11-16(20)18-8-4-5-9-18/h2-3,6-7H,4-5,8-9,11H2,1H3.
What are the key properties of 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile?
2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile is sourced from PubChem (CID 649127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).