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

C7H15NO5Si — CID 168702894

IUPAC4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCC[Si](O)(O)O
InChIInChI=1S/C7H15NO5Si/c9-6-4-7(10)8(5-6)2-1-3-14(11,12)13/h6,9,11-13H,1-5H2
InChIKeyXIYNRUUKIAZNCD-UHFFFAOYSA-N
MW221.28 g/mol
LogP-2.11
Rot. Bonds4

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

4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one (PubChem CID 168702894) has the molecular formula C7H15NO5Si and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
PubChem CID168702894
Molecular FormulaC7H15NO5Si
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCC[Si](O)(O)O
InChIInChI=1S/C7H15NO5Si/c9-6-4-7(10)8(5-6)2-1-3-14(11,12)13/h6,9,11-13H,1-5H2
InChIKeyXIYNRUUKIAZNCD-UHFFFAOYSA-N
XLogP-2.11
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one
CID 168702888
4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 106326869
potassium;hydride;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
CID 174987008
4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
CID 168702984
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
CID 168703000
2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506275
1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one (CID 168702894) is 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one is O=C1CC(O)CN1CCC[Si](O)(O)O.
What is the InChIKey of 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The InChIKey is XIYNRUUKIAZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5Si/c9-6-4-7(10)8(5-6)2-1-3-14(11,12)13/h6,9,11-13H,1-5H2.
What are the key properties of 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one has a molecular weight of 221.28 g/mol, XLogP of -2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168702894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).