2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate

C10H17NO3Si — CID 156640072

IUPAC2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate
SMILESC[Si](C)(C#COC(=O)N1CCCC1)CO
InChIInChI=1S/C10H17NO3Si/c1-15(2,9-12)8-7-14-10(13)11-5-3-4-6-11/h12H,3-6,9H2,1-2H3
InChIKeyRGVBYYQISNGJLC-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.96
Rot. Bonds1

About 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate

2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate (PubChem CID 156640072) has the molecular formula C10H17NO3Si and a molecular weight of 227.34 g/mol. Its IUPAC name is 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate
PubChem CID156640072
Molecular FormulaC10H17NO3Si
Molecular Weight227.34 g/mol
Exact Mass227.10
IUPAC Name2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate
SMILESC[Si](C)(C#COC(=O)N1CCCC1)CO
InChIInChI=1S/C10H17NO3Si/c1-15(2,9-12)8-7-14-10(13)11-5-3-4-6-11/h12H,3-6,9H2,1-2H3
InChIKeyRGVBYYQISNGJLC-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
but-2-ynyl pyrrolidine-1-carboxylate
CID 141248106
ethyl azetidine-1-carboxylate
CID 14088501
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
propanoyl piperidine-1-carboxylate
CID 142786690
piperidine-1-carboperoxoic acid
CID 18434275
propyl azepane-1-carboxylate
CID 91585333

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate?
The IUPAC name of 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate (CID 156640072) is 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate?
The canonical SMILES for 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate is C[Si](C)(C#COC(=O)N1CCCC1)CO.
What is the InChIKey of 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate?
The InChIKey is RGVBYYQISNGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3Si/c1-15(2,9-12)8-7-14-10(13)11-5-3-4-6-11/h12H,3-6,9H2,1-2H3.
What are the key properties of 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate?
2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate has a molecular weight of 227.34 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxymethyl(dimethyl)silyl]ethynyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 156640072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).