2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one

C11H21NO — CID 129290042

IUPAC2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CCC(C(C)C)N1
InChIInChI=1S/C11H21NO/c1-7(2)9-5-6-10(12-9)11(13)8(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyCNXHPFWJORVDKO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one

2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one (PubChem CID 129290042) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
PubChem CID129290042
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CCC(C(C)C)N1
InChIInChI=1S/C11H21NO/c1-7(2)9-5-6-10(12-9)11(13)8(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyCNXHPFWJORVDKO-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(5-propan-2-ylpyrrolidin-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-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one (CID 129290042) is 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one is CC(C)C(=O)C1CCC(C(C)C)N1.
What is the InChIKey of 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The InChIKey is CNXHPFWJORVDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7(2)9-5-6-10(12-9)11(13)8(3)4/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one?
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 129290042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).