3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one

C12H23NO — CID 130863448

IUPAC3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one
SMILESCCC(C)(C(C)=O)N1CCC(C)C1C
InChIInChI=1S/C12H23NO/c1-6-12(5,11(4)14)13-8-7-9(2)10(13)3/h9-10H,6-8H2,1-5H3
InChIKeyBAGWFPQUEUBJOL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.47
Rot. Bonds3

About 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one

3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one (PubChem CID 130863448) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one.

Molecular Properties

Compound Name3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one
PubChem CID130863448
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one
SMILESCCC(C)(C(C)=O)N1CCC(C)C1C
InChIInChI=1S/C12H23NO/c1-6-12(5,11(4)14)13-8-7-9(2)10(13)3/h9-10H,6-8H2,1-5H3
InChIKeyBAGWFPQUEUBJOL-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 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one?
The IUPAC name of 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one (CID 130863448) is 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one.
What is the SMILES notation for 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one?
The canonical SMILES for 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one is CCC(C)(C(C)=O)N1CCC(C)C1C.
What is the InChIKey of 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one?
The InChIKey is BAGWFPQUEUBJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-12(5,11(4)14)13-8-7-9(2)10(13)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one?
3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-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 3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one is sourced from PubChem (CID 130863448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).