5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one

C16H23NO2 — CID 104687889

IUPAC5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCOCc1ccc(CC2(C(C)C)CCC(=O)N2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)16(9-8-15(18)17-16)10-13-4-6-14(7-5-13)11-19-3/h4-7,12H,8-11H2,1-3H3,(H,17,18)
InChIKeyJPEUXVFZJYRWKN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds5

About 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one

5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 104687889) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID104687889
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCOCc1ccc(CC2(C(C)C)CCC(=O)N2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)16(9-8-15(18)17-16)10-13-4-6-14(7-5-13)11-19-3/h4-7,12H,8-11H2,1-3H3,(H,17,18)
InChIKeyJPEUXVFZJYRWKN-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one (CID 104687889) is 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one is COCc1ccc(CC2(C(C)C)CCC(=O)N2)cc1.
What is the InChIKey of 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is JPEUXVFZJYRWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)16(9-8-15(18)17-16)10-13-4-6-14(7-5-13)11-19-3/h4-7,12H,8-11H2,1-3H3,(H,17,18).
What are the key properties of 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one?
5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104687889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).