1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one

C13H17NO4 — CID 15154184

IUPAC1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(OC)c(N2CCCC2=O)cc1OC
InChIInChI=1S/C13H17NO4/c1-16-10-8-12(18-3)11(17-2)7-9(10)14-6-4-5-13(14)15/h7-8H,4-6H2,1-3H3
InChIKeySYASEQWUSDNCDH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.84
Rot. Bonds4

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

1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one (PubChem CID 15154184) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one
PubChem CID15154184
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(OC)c(N2CCCC2=O)cc1OC
InChIInChI=1S/C13H17NO4/c1-16-10-8-12(18-3)11(17-2)7-9(10)14-6-4-5-13(14)15/h7-8H,4-6H2,1-3H3
InChIKeySYASEQWUSDNCDH-UHFFFAOYSA-N
XLogP1.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one (CID 15154184) is 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one is COc1cc(OC)c(N2CCCC2=O)cc1OC.
What is the InChIKey of 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is SYASEQWUSDNCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-10-8-12(18-3)11(17-2)7-9(10)14-6-4-5-13(14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one?
1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15154184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).