(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one

C26H37NO2Si — CID 132541746

IUPAC(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C26H37NO2Si/c1-5-6-18-23(30(2,3)4)25(28)27-20-13-19-24(27)26(29,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23-24,29H,5-6,13,18-20H2,1-4H3/t23-,24-/m0/s1
InChIKeyTXZFHCBXABWOIA-ZEQRLZLVSA-N
MW423.67 g/mol
LogP5.81
Rot. Bonds8

About (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one

(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one (PubChem CID 132541746) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one
PubChem CID132541746
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Name(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C26H37NO2Si/c1-5-6-18-23(30(2,3)4)25(28)27-20-13-19-24(27)26(29,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23-24,29H,5-6,13,18-20H2,1-4H3/t23-,24-/m0/s1
InChIKeyTXZFHCBXABWOIA-ZEQRLZLVSA-N
XLogP5.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
CID 126842090
1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166414441
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 97330210
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
ethyl (E)-3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-enoate
CID 139095804
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
(2S)-1-[2-[hydroxy(phenyl)phosphoryl]hexanoyl]pyrrolidine-2-carboxylic acid
CID 54130315
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one (CID 132541746) is (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one is CCCC[C@@H](C(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one?
The InChIKey is TXZFHCBXABWOIA-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-5-6-18-23(30(2,3)4)25(28)27-20-13-19-24(27)26(29,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23-24,29H,5-6,13,18-20H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one?
(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one has a molecular weight of 423.67 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one is sourced from PubChem (CID 132541746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).