4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one

C17H20N2O — CID 139258716

IUPAC4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
SMILESCC1=C(C)N(CCc2c[nH]c3ccc(C)cc23)C(=O)C1
InChIInChI=1S/C17H20N2O/c1-11-4-5-16-15(8-11)14(10-18-16)6-7-19-13(3)12(2)9-17(19)20/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKeyDUQGUHZLMYXWTJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.55
Rot. Bonds3

About 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one

4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one (PubChem CID 139258716) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
PubChem CID139258716
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
SMILESCC1=C(C)N(CCc2c[nH]c3ccc(C)cc23)C(=O)C1
InChIInChI=1S/C17H20N2O/c1-11-4-5-16-15(8-11)14(10-18-16)6-7-19-13(3)12(2)9-17(19)20/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKeyDUQGUHZLMYXWTJ-UHFFFAOYSA-N
XLogP3.55
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
CID 10848791
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
2-(5-methyl-1H-indol-3-yl)ethyl formate
CID 174764369
(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
CID 51689194
2-(5-methyl-1H-indol-3-yl)ethyl methanesulfonate
CID 86602334
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one?
The IUPAC name of 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one (CID 139258716) is 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one.
What is the SMILES notation for 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one?
The canonical SMILES for 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one is CC1=C(C)N(CCc2c[nH]c3ccc(C)cc23)C(=O)C1.
What is the InChIKey of 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one?
The InChIKey is DUQGUHZLMYXWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-4-5-16-15(8-11)14(10-18-16)6-7-19-13(3)12(2)9-17(19)20/h4-5,8,10,18H,6-7,9H2,1-3H3.
What are the key properties of 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one?
4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one is sourced from PubChem (CID 139258716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).