5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one

C21H27NO2Si — CID 70251814

IUPAC5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one
SMILESCC(C)(CCC1CCC(=O)N1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,16-15-17-13-14-20(23)22-17)25(24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,24H,13-16H2,1-2H3,(H,22,23)
InChIKeyZFHCNULXRYZDLO-UHFFFAOYSA-N
MW353.54 g/mol
LogP2.58
Rot. Bonds6

About 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one

5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one (PubChem CID 70251814) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one
PubChem CID70251814
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one
SMILESCC(C)(CCC1CCC(=O)N1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,16-15-17-13-14-20(23)22-17)25(24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,24H,13-16H2,1-2H3,(H,22,23)
InChIKeyZFHCNULXRYZDLO-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one (CID 70251814) is 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one is CC(C)(CCC1CCC(=O)N1)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one?
The InChIKey is ZFHCNULXRYZDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-21(2,16-15-17-13-14-20(23)22-17)25(24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,24H,13-16H2,1-2H3,(H,22,23).
What are the key properties of 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one?
5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one has a molecular weight of 353.54 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one is sourced from PubChem (CID 70251814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).