5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one

C15H21NO2 — CID 113441378

IUPAC5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCCC1(Cc2ccc(COC)cc2)CCC(=O)N1
InChIInChI=1S/C15H21NO2/c1-3-15(9-8-14(17)16-15)10-12-4-6-13(7-5-12)11-18-2/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAZZLHTDDVPFJTA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one

5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 113441378) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID113441378
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCCC1(Cc2ccc(COC)cc2)CCC(=O)N1
InChIInChI=1S/C15H21NO2/c1-3-15(9-8-14(17)16-15)10-12-4-6-13(7-5-12)11-18-2/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAZZLHTDDVPFJTA-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687413
5-ethyl-5-[(4-pentoxyphenyl)methyl]pyrrolidin-2-one
CID 104687527
5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687889
5-(1,3-benzodioxol-5-ylmethyl)-5-ethylpyrrolidin-2-one
CID 104687565
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
CID 104687440
5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one
CID 104687522
5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
CID 104687587
5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
CID 113441381
5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687674
5-[(4-chlorothiophen-2-yl)methyl]-5-ethylpyrrolidin-2-one
CID 104687431
5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687288

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one (CID 113441378) is 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one is CCC1(Cc2ccc(COC)cc2)CCC(=O)N1.
What is the InChIKey of 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is AZZLHTDDVPFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(9-8-14(17)16-15)10-12-4-6-13(7-5-12)11-18-2/h4-7H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 113441378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).