(5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one

C14H19NO4 — CID 164666824

IUPAC(5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(OC)c([C@@H]2CCC(=O)N2C)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-15-10(5-6-13(15)16)14-11(18-3)7-9(17-2)8-12(14)19-4/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyUBGCWEXTZAXJIN-JTQLQIEISA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds4

About (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one

(5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one (PubChem CID 164666824) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
PubChem CID164666824
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(OC)c([C@@H]2CCC(=O)N2C)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-15-10(5-6-13(15)16)14-11(18-3)7-9(17-2)8-12(14)19-4/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyUBGCWEXTZAXJIN-JTQLQIEISA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
1-[(2,4-Dimethoxyphenyl)methyl]azetidin-2-one
CID 15281239
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
CID 69080186
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080188
5-(2,6-Dimethoxyphenyl)-3,3-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080268
7-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)azepan-2-one
CID 69080890
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-methoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69081619
(3S,5S)-3-chloro-5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69081640
6-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081642
6-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081717
6-(2,6-Dimethoxyphenyl)-1-(1-(4-(trifluoromethoxy)phenyl)ethyl)piperidin-2-one
CID 69081821
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082001

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one (CID 164666824) is (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one is COc1cc(OC)c([C@@H]2CCC(=O)N2C)c(OC)c1.
What is the InChIKey of (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is UBGCWEXTZAXJIN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-10(5-6-13(15)16)14-11(18-3)7-9(17-2)8-12(14)19-4/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1.
What are the key properties of (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one?
(5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 164666824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).