1-(2,2-diethylpyrrolidin-1-yl)ethanone

C10H19NO — CID 45086484

IUPAC1-(2,2-diethylpyrrolidin-1-yl)ethanone
SMILESCCC1(CC)CCCN1C(C)=O
InChIInChI=1S/C10H19NO/c1-4-10(5-2)7-6-8-11(10)9(3)12/h4-8H2,1-3H3
InChIKeyGGNLJSKYDFIDNE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds2

About 1-(2,2-diethylpyrrolidin-1-yl)ethanone

1-(2,2-diethylpyrrolidin-1-yl)ethanone (PubChem CID 45086484) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,2-diethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-diethylpyrrolidin-1-yl)ethanone
PubChem CID45086484
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,2-diethylpyrrolidin-1-yl)ethanone
SMILESCCC1(CC)CCCN1C(C)=O
InChIInChI=1S/C10H19NO/c1-4-10(5-2)7-6-8-11(10)9(3)12/h4-8H2,1-3H3
InChIKeyGGNLJSKYDFIDNE-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,2-diethylpyrrolidin-1-yl)ethanone (CID 45086484) is 1-(2,2-diethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2-diethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,2-diethylpyrrolidin-1-yl)ethanone is CCC1(CC)CCCN1C(C)=O.
What is the InChIKey of 1-(2,2-diethylpyrrolidin-1-yl)ethanone?
The InChIKey is GGNLJSKYDFIDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(5-2)7-6-8-11(10)9(3)12/h4-8H2,1-3H3.
What are the key properties of 1-(2,2-diethylpyrrolidin-1-yl)ethanone?
1-(2,2-diethylpyrrolidin-1-yl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 45086484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).