1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one

C14H19NO4 — CID 154196757

IUPAC1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(OC)c(C2CC(=O)N(C)C2)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-15-8-9(5-13(15)16)14-11(18-3)6-10(17-2)7-12(14)19-4/h6-7,9H,5,8H2,1-4H3
InChIKeyFTKAUTTVFRLDBW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.66
Rot. Bonds4

About 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one

1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one (PubChem CID 154196757) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
PubChem CID154196757
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(OC)c(C2CC(=O)N(C)C2)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-15-8-9(5-13(15)16)14-11(18-3)6-10(17-2)7-12(14)19-4/h6-7,9H,5,8H2,1-4H3
InChIKeyFTKAUTTVFRLDBW-UHFFFAOYSA-N
XLogP1.66
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
CID 102347263
methyl (2S,3R)-1-methyl-5-oxo-3-(2,4,6-trimethoxyphenyl)pyrrolidine-2-carboxylate
CID 67165242
2-(2-methylpropanoyl)-5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
CID 52950803
4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
CID 22759477
4-amino-6,8-dimethoxy-1-methyl-3,4-dihydroquinolin-2-one
CID 84628304
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94097508
6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13029673
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 5146903
(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
CID 164666012

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one (CID 154196757) is 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one is COc1cc(OC)c(C2CC(=O)N(C)C2)c(OC)c1.
What is the InChIKey of 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is FTKAUTTVFRLDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-8-9(5-13(15)16)14-11(18-3)6-10(17-2)7-12(14)19-4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 154196757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).