1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one

C16H21ClN2O3 — CID 111976754

IUPAC1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
SMILESCN(CC1(CO)COC1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-18(8-16(9-20)10-22-11-16)14-6-7-19(15(14)21)13-5-3-2-4-12(13)17/h2-5,14,20H,6-11H2,1H3
InChIKeyOHEVGBUEMYATOZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.39
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one (PubChem CID 111976754) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
PubChem CID111976754
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
SMILESCN(CC1(CO)COC1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-18(8-16(9-20)10-22-11-16)14-6-7-19(15(14)21)13-5-3-2-4-12(13)17/h2-5,14,20H,6-11H2,1H3
InChIKeyOHEVGBUEMYATOZ-UHFFFAOYSA-N
XLogP1.39
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
4-(aminomethyl)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyloxane-4-carboxamide
CID 120932426
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
CID 95619951
4-[3-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86937653
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one (CID 111976754) is 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one is CN(CC1(CO)COC1)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one?
The InChIKey is OHEVGBUEMYATOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-18(8-16(9-20)10-22-11-16)14-6-7-19(15(14)21)13-5-3-2-4-12(13)17/h2-5,14,20H,6-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one has a molecular weight of 324.81 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 111976754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).