2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one

C9H17NO — CID 116569850

IUPAC2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
SMILESCC(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C9H17NO/c1-7(2)8(11)9(3)4-5-10-6-9/h7,10H,4-6H2,1-3H3
InChIKeyRXBLONSKXHKJFT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one

2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one (PubChem CID 116569850) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
PubChem CID116569850
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
SMILESCC(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C9H17NO/c1-7(2)8(11)9(3)4-5-10-6-9/h7,10H,4-6H2,1-3H3
InChIKeyRXBLONSKXHKJFT-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

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Related Compounds

2-methyl-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116569893
2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one
CID 130729788
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 113266401
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
3-methyl-1-(3-methylpyrrolidin-3-yl)but-2-en-1-one
CID 116570153
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one (CID 116569850) is 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one is CC(C)C(=O)C1(C)CCNC1.
What is the InChIKey of 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
The InChIKey is RXBLONSKXHKJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)8(11)9(3)4-5-10-6-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
2-methyl-1-(3-methylpyrrolidin-3-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-(3-methylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 116569850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).