1-(2-ethylpyrrolidin-1-yl)ethanone

C8H15NO — CID 22985823

IUPAC1-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1C(C)=O
InChIInChI=1S/C8H15NO/c1-3-8-5-4-6-9(8)7(2)10/h8H,3-6H2,1-2H3
InChIKeyBOXGEJWOQXEVMF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds1

About 1-(2-ethylpyrrolidin-1-yl)ethanone

1-(2-ethylpyrrolidin-1-yl)ethanone (PubChem CID 22985823) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)ethanone
PubChem CID22985823
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1C(C)=O
InChIInChI=1S/C8H15NO/c1-3-8-5-4-6-9(8)7(2)10/h8H,3-6H2,1-2H3
InChIKeyBOXGEJWOQXEVMF-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)ethanone (CID 22985823) is 1-(2-ethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)ethanone is CCC1CCCN1C(C)=O.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)ethanone?
The InChIKey is BOXGEJWOQXEVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8-5-4-6-9(8)7(2)10/h8H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)ethanone?
1-(2-ethylpyrrolidin-1-yl)ethanone has a molecular weight of 141.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 22985823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).