3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one

C13H18N2O2 — CID 106253017

IUPAC3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
SMILESCC(NC1CCN(C)C1=O)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c1-9(10-3-5-11(16)6-4-10)14-12-7-8-15(2)13(12)17/h3-6,9,12,14,16H,7-8H2,1-2H3
InChIKeyXGWMDMYBAZNVGB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds3

About 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one

3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one (PubChem CID 106253017) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
PubChem CID106253017
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
SMILESCC(NC1CCN(C)C1=O)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c1-9(10-3-5-11(16)6-4-10)14-12-7-8-15(2)13(12)17/h3-6,9,12,14,16H,7-8H2,1-2H3
InChIKeyXGWMDMYBAZNVGB-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
CID 81407977
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
CID 81374524
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81397497
1-methyl-3-[1-(2,3,4-trichlorophenyl)ethylamino]pyrrolidin-2-one
CID 103902425
1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106255831
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
CID 96567992
3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
CID 81384940

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one (CID 106253017) is 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one is CC(NC1CCN(C)C1=O)c1ccc(O)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
The InChIKey is XGWMDMYBAZNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(10-3-5-11(16)6-4-10)14-12-7-8-15(2)13(12)17/h3-6,9,12,14,16H,7-8H2,1-2H3.
What are the key properties of 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).