About 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine (PubChem CID 117270860) has the molecular formula C11H21NO
and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine.
Molecular Properties
| Compound Name | 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine |
| PubChem CID | 117270860 |
| Molecular Formula | C11H21NO |
| Molecular Weight | 183.29 g/mol |
| Exact Mass | 183.16 |
| IUPAC Name | 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine |
| SMILES | COCC1(C)CC(C2CCC2)CN1 |
| InChI | InChI=1S/C11H21NO/c1-11(8-13-2)6-10(7-12-11)9-4-3-5-9/h9-10,12H,3-8H2,1-2H3 |
| InChIKey | BGQUPKNDEUCPQY-UHFFFAOYSA-N |
| XLogP | 1.80 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 183.29 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine?
The IUPAC name of 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine (CID 117270860) is 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine.
What is the SMILES notation for 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine?
The canonical SMILES for 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine is COCC1(C)CC(C2CCC2)CN1.
What is the InChIKey of 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine?
The InChIKey is BGQUPKNDEUCPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(8-13-2)6-10(7-12-11)9-4-3-5-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine?
4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine is sourced from PubChem (CID 117270860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).