3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one

C13H18N2O2 — CID 111544278

IUPAC3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
SMILESCN(CCO)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C13H18N2O2/c1-14(9-10-16)12-7-8-15(13(12)17)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3
InChIKeyWIBXITKXMXXYQL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one

3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one (PubChem CID 111544278) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
PubChem CID111544278
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
SMILESCN(CCO)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C13H18N2O2/c1-14(9-10-16)12-7-8-15(13(12)17)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3
InChIKeyWIBXITKXMXXYQL-UHFFFAOYSA-N
XLogP0.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one (CID 111544278) is 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one is CN(CCO)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one?
The InChIKey is WIBXITKXMXXYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(9-10-16)12-7-8-15(13(12)17)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one?
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 111544278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).