2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one

C12H22N2O2 — CID 21338897

IUPAC2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one
SMILESCNCC(=O)N1CCCC1C(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-12(2,3)11(16)9-6-5-7-14(9)10(15)8-13-4/h9,13H,5-8H2,1-4H3
InChIKeyQHUBEURLJQQQSR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds3

About 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one

2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one (PubChem CID 21338897) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one
PubChem CID21338897
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one
SMILESCNCC(=O)N1CCCC1C(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-12(2,3)11(16)9-6-5-7-14(9)10(15)8-13-4/h9,13H,5-8H2,1-4H3
InChIKeyQHUBEURLJQQQSR-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-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 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one (CID 21338897) is 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one is CNCC(=O)N1CCCC1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
The InChIKey is QHUBEURLJQQQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)11(16)9-6-5-7-14(9)10(15)8-13-4/h9,13H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 21338897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).