4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one

C13H17NO2 — CID 66106095

IUPAC4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
SMILESCOCc1cccc(C2CC(=O)NC2C)c1
InChIInChI=1S/C13H17NO2/c1-9-12(7-13(15)14-9)11-5-3-4-10(6-11)8-16-2/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)
InChIKeyGTNCCXADIAHEMN-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.83
Rot. Bonds3

About 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one

4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one (PubChem CID 66106095) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
PubChem CID66106095
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
SMILESCOCc1cccc(C2CC(=O)NC2C)c1
InChIInChI=1S/C13H17NO2/c1-9-12(7-13(15)14-9)11-5-3-4-10(6-11)8-16-2/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)
InChIKeyGTNCCXADIAHEMN-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one (CID 66106095) is 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one is COCc1cccc(C2CC(=O)NC2C)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one?
The InChIKey is GTNCCXADIAHEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-12(7-13(15)14-9)11-5-3-4-10(6-11)8-16-2/h3-6,9,12H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one?
4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 66106095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).