2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone

C18H19NO2 — CID 6611667

IUPAC2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(N1CCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-17(19-13-7-8-14-19)18(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
InChIKeyKUWKTKGAFKPXSR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.54
Rot. Bonds3

About 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone

2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone (PubChem CID 6611667) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
PubChem CID6611667
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(N1CCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-17(19-13-7-8-14-19)18(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
InChIKeyKUWKTKGAFKPXSR-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate
CID 54005824
1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388
pyrrolidin-1-yl(triphenylstannyl)methanone
CID 14028202
2-(azetidine-1-carbonyl)-3-methyl-2-phenylbutanoic acid
CID 166691288
1-phenyl-2-piperidin-1-ylethane-1,2-dione;1,1,2,2-tetraphenylethane-1,2-diol
CID 139194610
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
N-(2-methyl-1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 90688649
2-phenylpropan-2-yl azetidine-1-carboxylate
CID 170530047
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone (CID 6611667) is 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone is O=C(N1CCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is KUWKTKGAFKPXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17(19-13-7-8-14-19)18(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2.
What are the key properties of 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone?
2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6611667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).