(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one

C17H25NO3Si — CID 10495893

IUPAC(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESC/C=C/[C@@H](O)[C@@H]1C(=O)N[C@H](CO)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-4-8-14(20)15-16(13(11-19)18-17(15)21)22(2,3)12-9-6-5-7-10-12/h4-10,13-16,19-20H,11H2,1-3H3,(H,18,21)/b8-4+/t13-,14-,15+,16-/m1/s1
InChIKeyDNQHQUSYWGPHEL-CJOGZJQISA-N
MW319.48 g/mol
LogP1.02
Rot. Bonds5

About (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one

(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 10495893) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID10495893
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Name(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESC/C=C/[C@@H](O)[C@@H]1C(=O)N[C@H](CO)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-4-8-14(20)15-16(13(11-19)18-17(15)21)22(2,3)12-9-6-5-7-10-12/h4-10,13-16,19-20H,11H2,1-3H3,(H,18,21)/b8-4+/t13-,14-,15+,16-/m1/s1
InChIKeyDNQHQUSYWGPHEL-CJOGZJQISA-N
XLogP1.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10851289
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 57535677
(5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 68018634
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]pyrrolidin-2-one
CID 10502940
tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate
CID 10506462
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
CID 10597548

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one (CID 10495893) is (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one is C/C=C/[C@@H](O)[C@@H]1C(=O)N[C@H](CO)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is DNQHQUSYWGPHEL-CJOGZJQISA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-4-8-14(20)15-16(13(11-19)18-17(15)21)22(2,3)12-9-6-5-7-10-12/h4-10,13-16,19-20H,11H2,1-3H3,(H,18,21)/b8-4+/t13-,14-,15+,16-/m1/s1.
What are the key properties of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one?
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 319.48 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10495893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).