5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one

C12H21NO2Si — CID 11955042

IUPAC5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one
SMILESC=C=C(CN1C(=O)CCC1O)C[Si](C)(C)C
InChIInChI=1S/C12H21NO2Si/c1-5-10(9-16(2,3)4)8-13-11(14)6-7-12(13)15/h11,14H,1,6-9H2,2-4H3
InChIKeyUMEMVOADEIGKGP-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.98
Rot. Bonds4

About 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one

5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one (PubChem CID 11955042) has the molecular formula C12H21NO2Si and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one
PubChem CID11955042
Molecular FormulaC12H21NO2Si
Molecular Weight239.39 g/mol
Exact Mass239.13
IUPAC Name5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one
SMILESC=C=C(CN1C(=O)CCC1O)C[Si](C)(C)C
InChIInChI=1S/C12H21NO2Si/c1-5-10(9-16(2,3)4)8-13-11(14)6-7-12(13)15/h11,14H,1,6-9H2,2-4H3
InChIKeyUMEMVOADEIGKGP-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
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-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one (CID 11955042) is 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one is C=C=C(CN1C(=O)CCC1O)C[Si](C)(C)C.
What is the InChIKey of 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one?
The InChIKey is UMEMVOADEIGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2Si/c1-5-10(9-16(2,3)4)8-13-11(14)6-7-12(13)15/h11,14H,1,6-9H2,2-4H3.
What are the key properties of 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one?
5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one has a molecular weight of 239.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one is sourced from PubChem (CID 11955042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).