1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C11H21NO2 — CID 64592047

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13)12-6-5-9(7-12)8-14-4/h9H,5-8H2,1-4H3
InChIKeyAJDDUBQNTUXBMF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 64592047) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID64592047
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13)12-6-5-9(7-12)8-14-4/h9H,5-8H2,1-4H3
InChIKeyAJDDUBQNTUXBMF-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one 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-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 64592047) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is COCC1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AJDDUBQNTUXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)10(13)12-6-5-9(7-12)8-14-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 64592047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).