2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one

C13H17NO2 — CID 83837131

IUPAC2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
SMILESCOc1cc(C)c(C)cc1C1NCCC1=O
InChIInChI=1S/C13H17NO2/c1-8-6-10(12(16-3)7-9(8)2)13-11(15)4-5-14-13/h6-7,13-14H,4-5H2,1-3H3
InChIKeyJGTLDGXAOHRSKX-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.92
Rot. Bonds2

About 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one

2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one (PubChem CID 83837131) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
PubChem CID83837131
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
SMILESCOc1cc(C)c(C)cc1C1NCCC1=O
InChIInChI=1S/C13H17NO2/c1-8-6-10(12(16-3)7-9(8)2)13-11(15)4-5-14-13/h6-7,13-14H,4-5H2,1-3H3
InChIKeyJGTLDGXAOHRSKX-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
6-(2,5-dimethoxy-4-methylphenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 3382144
2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
CID 116822126
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
N,N-diethyl-2-[[6-methoxy-1-(2-methoxy-4,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethanamine
CID 4204427
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
6,7-dimethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3885623
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
CID 43817529
4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 4573266
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one (CID 83837131) is 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one is COc1cc(C)c(C)cc1C1NCCC1=O.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one?
The InChIKey is JGTLDGXAOHRSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-6-10(12(16-3)7-9(8)2)13-11(15)4-5-14-13/h6-7,13-14H,4-5H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one?
2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one has a molecular weight of 219.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one is sourced from PubChem (CID 83837131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).