(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

C12H15NO2 — CID 126653334

IUPAC(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc([C@H]2CNC(=O)[C@@H]2C)c1
InChIInChI=1S/C12H15NO2/c1-8-11(7-13-12(8)14)9-4-3-5-10(6-9)15-2/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t8-,11+/m1/s1
InChIKeyZTHAIBWBBQWLDV-KCJUWKMLSA-N
MW205.26 g/mol
LogP1.54
Rot. Bonds2

About (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 126653334) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID126653334
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc([C@H]2CNC(=O)[C@@H]2C)c1
InChIInChI=1S/C12H15NO2/c1-8-11(7-13-12(8)14)9-4-3-5-10(6-9)15-2/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t8-,11+/m1/s1
InChIKeyZTHAIBWBBQWLDV-KCJUWKMLSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
carbon dioxide;(3R,4S)-3-methyl-4-phenylpyrrolidin-2-one
CID 160728720
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
2-(3-methoxyphenyl)thiomorpholin-3-one
CID 14169391
(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 46850496
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 126653334) is (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1cccc([C@H]2CNC(=O)[C@@H]2C)c1.
What is the InChIKey of (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is ZTHAIBWBBQWLDV-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-11(7-13-12(8)14)9-4-3-5-10(6-9)15-2/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t8-,11+/m1/s1.
What are the key properties of (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 126653334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).