4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one

C14H20N2O2 — CID 63102450

IUPAC4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one
SMILESCc1cc(C(=O)CN2CC(C)CC2=O)c(C)n1C
InChIInChI=1S/C14H20N2O2/c1-9-5-14(18)16(7-9)8-13(17)12-6-10(2)15(4)11(12)3/h6,9H,5,7-8H2,1-4H3
InChIKeyNKRJRVJKMWXAHP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds3

About 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one

4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 63102450) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one
PubChem CID63102450
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one
SMILESCc1cc(C(=O)CN2CC(C)CC2=O)c(C)n1C
InChIInChI=1S/C14H20N2O2/c1-9-5-14(18)16(7-9)8-13(17)12-6-10(2)15(4)11(12)3/h6,9H,5,7-8H2,1-4H3
InChIKeyNKRJRVJKMWXAHP-UHFFFAOYSA-N
XLogP1.69
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
2-(4-aminopiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62030350
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 63102645
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 60627642
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 79943101
1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 2663294
2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653828

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one (CID 63102450) is 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one is Cc1cc(C(=O)CN2CC(C)CC2=O)c(C)n1C.
What is the InChIKey of 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is NKRJRVJKMWXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-14(18)16(7-9)8-13(17)12-6-10(2)15(4)11(12)3/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one?
4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 63102450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).