2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one

C9H17NO — CID 90895243

IUPAC2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
SMILESCC1CNC(C(=O)C(C)C)C1
InChIInChI=1S/C9H17NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-8,10H,4-5H2,1-3H3
InChIKeyICNLBPOWJOJNAA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one

2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one (PubChem CID 90895243) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
PubChem CID90895243
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
SMILESCC1CNC(C(=O)C(C)C)C1
InChIInChI=1S/C9H17NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-8,10H,4-5H2,1-3H3
InChIKeyICNLBPOWJOJNAA-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-methylpyrrolidin-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

Related Compounds

4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one
CID 159001557
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
CID 147463396
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
2-methyl-1-(3-methylcyclobutyl)propan-1-one
CID 70309375
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
CID 166581252
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
CID 101194744
1-(4-fluoropyrrolidin-2-yl)-2-methylbutan-1-one
CID 90709568
N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
CID 156837561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one (CID 90895243) is 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one is CC1CNC(C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one?
The InChIKey is ICNLBPOWJOJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one?
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 90895243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).