4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine

C11H21NO — CID 117270860

IUPAC4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
SMILESCOCC1(C)CC(C2CCC2)CN1
InChIInChI=1S/C11H21NO/c1-11(8-13-2)6-10(7-12-11)9-4-3-5-9/h9-10,12H,3-8H2,1-2H3
InChIKeyBGQUPKNDEUCPQY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

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 Name4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
PubChem CID117270860
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
SMILESCOCC1(C)CC(C2CCC2)CN1
InChIInChI=1S/C11H21NO/c1-11(8-13-2)6-10(7-12-11)9-4-3-5-9/h9-10,12H,3-8H2,1-2H3
InChIKeyBGQUPKNDEUCPQY-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).