5-ethylpyrrolidin-2-one

C6H11NO — CID 13301951

IUPAC5-ethylpyrrolidin-2-one
SMILESCCC1CCC(=O)N1
InChIInChI=1S/C6H11NO/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyQMXPTUUFGSTIKK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds1

About 5-ethylpyrrolidin-2-one

5-ethylpyrrolidin-2-one (PubChem CID 13301951) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethylpyrrolidin-2-one
PubChem CID13301951
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-ethylpyrrolidin-2-one
SMILESCCC1CCC(=O)N1
InChIInChI=1S/C6H11NO/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyQMXPTUUFGSTIKK-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrrolidin-2-one?
The IUPAC name of 5-ethylpyrrolidin-2-one (CID 13301951) is 5-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-ethylpyrrolidin-2-one?
The canonical SMILES for 5-ethylpyrrolidin-2-one is CCC1CCC(=O)N1.
What is the InChIKey of 5-ethylpyrrolidin-2-one?
The InChIKey is QMXPTUUFGSTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of 5-ethylpyrrolidin-2-one?
5-ethylpyrrolidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrrolidin-2-one is sourced from PubChem (CID 13301951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).