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

C12H23NO — CID 20659587

IUPAC2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CCC(C)N1C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)12(14)11-7-6-10(5)13(11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyJXFFXYRRHYHMHO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.47
Rot. Bonds3

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

2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one (PubChem CID 20659587) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
PubChem CID20659587
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CCC(C)N1C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)12(14)11-7-6-10(5)13(11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyJXFFXYRRHYHMHO-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one (CID 20659587) is 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one is CC(C)C(=O)C1CCC(C)N1C(C)C.
What is the InChIKey of 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The InChIKey is JXFFXYRRHYHMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)12(14)11-7-6-10(5)13(11)9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 20659587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).