5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one

C15H21NO3 — CID 104687522

IUPAC5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2cccc(OC)c2OC)CCC(=O)N1
InChIInChI=1S/C15H21NO3/c1-4-15(9-8-13(17)16-15)10-11-6-5-7-12(18-2)14(11)19-3/h5-7H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyHIEPQMJNCNVXHC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds5

About 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one

5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one (PubChem CID 104687522) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one
PubChem CID104687522
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2cccc(OC)c2OC)CCC(=O)N1
InChIInChI=1S/C15H21NO3/c1-4-15(9-8-13(17)16-15)10-11-6-5-7-12(18-2)14(11)19-3/h5-7H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyHIEPQMJNCNVXHC-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687544
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 113441378
5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
CID 113441381
N-ethyl-N-(2-hydroxyethyl)-3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42167605
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132
5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687917
N-(1-hydroxypropan-2-yl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45173504
N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45176527
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 42248508
2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 66465553

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one?
The IUPAC name of 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one (CID 104687522) is 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one?
The canonical SMILES for 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one is CCC1(Cc2cccc(OC)c2OC)CCC(=O)N1.
What is the InChIKey of 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one?
The InChIKey is HIEPQMJNCNVXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-15(9-8-13(17)16-15)10-11-6-5-7-12(18-2)14(11)19-3/h5-7H,4,8-10H2,1-3H3,(H,16,17).
What are the key properties of 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one?
5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 104687522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).