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

C9H15NO4Si — CID 168501595

IUPAC4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCC[Si](O)(O)O)C1
InChIInChI=1S/C9H15NO4Si/c1-2-8-6-9(11)10(7-8)4-3-5-15(12,13)14/h1,8,12-14H,3-7H2
InChIKeyNGGIABNZYSWTJU-UHFFFAOYSA-N
MW229.31 g/mol
LogP-1.23
Rot. Bonds4

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

4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one (PubChem CID 168501595) has the molecular formula C9H15NO4Si and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
PubChem CID168501595
Molecular FormulaC9H15NO4Si
Molecular Weight229.31 g/mol
Exact Mass229.08
IUPAC Name4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCC[Si](O)(O)O)C1
InChIInChI=1S/C9H15NO4Si/c1-2-8-6-9(11)10(7-8)4-3-5-15(12,13)14/h1,8,12-14H,3-7H2
InChIKeyNGGIABNZYSWTJU-UHFFFAOYSA-N
XLogP-1.23
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
CID 168500605
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one (CID 168501595) is 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one is C#CC1CC(=O)N(CCC[Si](O)(O)O)C1.
What is the InChIKey of 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
The InChIKey is NGGIABNZYSWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4Si/c1-2-8-6-9(11)10(7-8)4-3-5-15(12,13)14/h1,8,12-14H,3-7H2.
What are the key properties of 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one?
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one has a molecular weight of 229.31 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168501595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).