4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one

C9H17NO4Si — CID 168685234

IUPAC4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC[Si](O)(O)O)C1
InChIInChI=1S/C9H17NO4Si/c1-2-8-6-9(11)10(7-8)4-3-5-15(12,13)14/h2,8,12-14H,1,3-7H2
InChIKeyRUVJHFHOMLVBSB-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.67
Rot. Bonds5

About 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one

4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one (PubChem CID 168685234) has the molecular formula C9H17NO4Si and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
PubChem CID168685234
Molecular FormulaC9H17NO4Si
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC[Si](O)(O)O)C1
InChIInChI=1S/C9H17NO4Si/c1-2-8-6-9(11)10(7-8)4-3-5-15(12,13)14/h2,8,12-14H,1,3-7H2
InChIKeyRUVJHFHOMLVBSB-UHFFFAOYSA-N
XLogP-0.67
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 168685188
4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
CID 168685200
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one (CID 168685234) is 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one is C=CC1CC(=O)N(CCC[Si](O)(O)O)C1.
What is the InChIKey of 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The InChIKey is RUVJHFHOMLVBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4Si/c1-2-8-6-9(11)10(7-8)4-3-5-15(12,13)14/h2,8,12-14H,1,3-7H2.
What are the key properties of 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168685234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).