1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine

C11H23NO2 — CID 70826987

IUPAC1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine
SMILESCCC(C)N1CC(OC)CC1COC
InChIInChI=1S/C11H23NO2/c1-5-9(2)12-7-11(14-4)6-10(12)8-13-3/h9-11H,5-8H2,1-4H3
InChIKeyXTEXNAUGQIYHIG-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.52
Rot. Bonds5

About 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine

1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine (PubChem CID 70826987) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine
PubChem CID70826987
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine
SMILESCCC(C)N1CC(OC)CC1COC
InChIInChI=1S/C11H23NO2/c1-5-9(2)12-7-11(14-4)6-10(12)8-13-3/h9-11H,5-8H2,1-4H3
InChIKeyXTEXNAUGQIYHIG-UHFFFAOYSA-N
XLogP1.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine (CID 70826987) is 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine is CCC(C)N1CC(OC)CC1COC.
What is the InChIKey of 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine?
The InChIKey is XTEXNAUGQIYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(2)12-7-11(14-4)6-10(12)8-13-3/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine?
1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methoxy-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 70826987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).