4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one

C14H20N2O2 — CID 82159584

IUPAC4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCc1ccc(OC)c(CN2CC(N)CC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-3-10-4-5-13(18-2)11(6-10)8-16-9-12(15)7-14(16)17/h4-6,12H,3,7-9,15H2,1-2H3
InChIKeyFHUCJECHWCPFIJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one

4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 82159584) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID82159584
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCc1ccc(OC)c(CN2CC(N)CC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-3-10-4-5-13(18-2)11(6-10)8-16-9-12(15)7-14(16)17/h4-6,12H,3,7-9,15H2,1-2H3
InChIKeyFHUCJECHWCPFIJ-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82159582
1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
CID 82296410
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512610
4-tert-butyl-1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 104512631
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
4-methoxy-3-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511862
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
CID 112514914
1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 13422557
1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168684467
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one (CID 82159584) is 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one is CCc1ccc(OC)c(CN2CC(N)CC2=O)c1.
What is the InChIKey of 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is FHUCJECHWCPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-4-5-13(18-2)11(6-10)8-16-9-12(15)7-14(16)17/h4-6,12H,3,7-9,15H2,1-2H3.
What are the key properties of 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 82159584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).