(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one

C19H21NO3 — CID 134918254

IUPAC(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
SMILESC[C@]1(O)[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-19(22)17(23-14-16-10-6-3-7-11-16)12-18(21)20(19)13-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3/t17-,19-/m0/s1
InChIKeyQROVKNXUSVSESF-HKUYNNGSSA-N
MW311.38 g/mol
LogP2.71
Rot. Bonds5

About (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one

(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 134918254) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID134918254
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
SMILESC[C@]1(O)[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-19(22)17(23-14-16-10-6-3-7-11-16)12-18(21)20(19)13-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3/t17-,19-/m0/s1
InChIKeyQROVKNXUSVSESF-HKUYNNGSSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102114525
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CID 97041960
(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one
CID 141068643
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 11236060
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
CID 101357836
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one (CID 134918254) is (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one is C[C@]1(O)[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is QROVKNXUSVSESF-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(22)17(23-14-16-10-6-3-7-11-16)12-18(21)20(19)13-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3/t17-,19-/m0/s1.
What are the key properties of (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one?
(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 134918254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).