(3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one

C19H31NOSi — CID 102326670

IUPAC(3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one
SMILESCCCC[C@]1(C)C(=O)N[C@H](CC)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H31NOSi/c1-6-8-14-19(3)17(16(7-2)20-18(19)21)22(4,5)15-12-10-9-11-13-15/h9-13,16-17H,6-8,14H2,1-5H3,(H,20,21)/t16-,17-,19+/m1/s1
InChIKeyRIMSIAVAZLTROE-LMMKCTJWSA-N
MW317.55 g/mol
LogP4.08
Rot. Bonds6

About (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one

(3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one (PubChem CID 102326670) has the molecular formula C19H31NOSi and a molecular weight of 317.55 g/mol. Its IUPAC name is (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one
PubChem CID102326670
Molecular FormulaC19H31NOSi
Molecular Weight317.55 g/mol
Exact Mass317.22
IUPAC Name(3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one
SMILESCCCC[C@]1(C)C(=O)N[C@H](CC)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H31NOSi/c1-6-8-14-19(3)17(16(7-2)20-18(19)21)22(4,5)15-12-10-9-11-13-15/h9-13,16-17H,6-8,14H2,1-5H3,(H,20,21)/t16-,17-,19+/m1/s1
InChIKeyRIMSIAVAZLTROE-LMMKCTJWSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one (CID 102326670) is (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one is CCCC[C@]1(C)C(=O)N[C@H](CC)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one?
The InChIKey is RIMSIAVAZLTROE-LMMKCTJWSA-N. The full InChI is InChI=1S/C19H31NOSi/c1-6-8-14-19(3)17(16(7-2)20-18(19)21)22(4,5)15-12-10-9-11-13-15/h9-13,16-17H,6-8,14H2,1-5H3,(H,20,21)/t16-,17-,19+/m1/s1.
What are the key properties of (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one?
(3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one has a molecular weight of 317.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3-butyl-4-[dimethyl(phenyl)silyl]-5-ethyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 102326670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).