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

C13H18N2O2 — CID 113350639

IUPAC3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
SMILESCC(NC1CCN(C)C1=O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-9(10-4-3-5-11(16)8-10)14-12-6-7-15(2)13(12)17/h3-5,8-9,12,14,16H,6-7H2,1-2H3
InChIKeyJGNDDXLHUQEPSB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds3

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

3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one (PubChem CID 113350639) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
PubChem CID113350639
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
SMILESCC(NC1CCN(C)C1=O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-9(10-4-3-5-11(16)8-10)14-12-6-7-15(2)13(12)17/h3-5,8-9,12,14,16H,6-7H2,1-2H3
InChIKeyJGNDDXLHUQEPSB-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-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
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
1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
CID 81374524
3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 75377366
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81397497
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one (CID 113350639) is 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one is CC(NC1CCN(C)C1=O)c1cccc(O)c1.
What is the InChIKey of 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
The InChIKey is JGNDDXLHUQEPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(10-4-3-5-11(16)8-10)14-12-6-7-15(2)13(12)17/h3-5,8-9,12,14,16H,6-7H2,1-2H3.
What are the key properties of 3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one?
3-[1-(3-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-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 113350639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).