1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C12H23NO2 — CID 115968533

IUPAC1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CC(C)N(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9-6-10(2)13(7-9)11(14)8-15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyJWEZXORTUZCZJT-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds2

About 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 115968533) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID115968533
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CC(C)N(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9-6-10(2)13(7-9)11(14)8-15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyJWEZXORTUZCZJT-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone 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-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 115968533) is 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC1CC(C)N(C(=O)COC(C)(C)C)C1.
What is the InChIKey of 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is JWEZXORTUZCZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-10(2)13(7-9)11(14)8-15-12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 213.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 115968533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).