1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C22H27NO2 — CID 3615185

IUPAC1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)20(24)23-16-10-15-19(23)22(25,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,25H,10,15-16H2,1-3H3
InChIKeyIVLWUMZUDVWOFI-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.96
Rot. Bonds3

About 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 3615185) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID3615185
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)20(24)23-16-10-15-19(23)22(25,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,25H,10,15-16H2,1-3H3
InChIKeyIVLWUMZUDVWOFI-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166414441
3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
CID 126842090
(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one
CID 132541746
tert-butyl (2S)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 101333766
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322
[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone iodide
CID 11273081
3-hydroxy-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-phenylbutan-1-one
CID 110026114
(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099
(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 97330210
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
(2S)-N-[4-[2-[(1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxamide
CID 11526829

Frequently Asked Questions

What is the IUPAC name of 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 3615185) is 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IVLWUMZUDVWOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2,3)20(24)23-16-10-15-19(23)22(25,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,25H,10,15-16H2,1-3H3.
What are the key properties of 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 3615185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).