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

C12H23NO — CID 20659584

IUPAC2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1C(C)CCN1C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)12(14)11-10(5)6-7-13(11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyBXNXLTZGQGQVFG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

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

2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one (PubChem CID 20659584) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
PubChem CID20659584
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one
SMILESCC(C)C(=O)C1C(C)CCN1C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)12(14)11-10(5)6-7-13(11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyBXNXLTZGQGQVFG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one
CID 10080791
2,2-Dimethyl-1-(1-methylpyrrolidin-2-YL)propan-1-one
CID 15758088
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
CID 59080127
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59476484
1-[(2S,4S)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59476928
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668708
7,7,7-Trifluoro-2-methyl-4-pyrrolidin-1-ylheptan-3-one
CID 70799966
1-(4-Fluoro-1-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72302814
1-[1-Tert-butyl-4-(trifluoromethyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 72302901
1-(4-Fluoro-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 72352942
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 89692017
2,2-dimethyl-1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-one
CID 89692758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one (CID 20659584) is 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one is CC(C)C(=O)C1C(C)CCN1C(C)C.
What is the InChIKey of 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
The InChIKey is BXNXLTZGQGQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)12(14)11-10(5)6-7-13(11)9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one?
2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 20659584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).