1-butyl-3-ethylpyrrolidin-2-one

C10H19NO — CID 14202329

IUPAC1-butyl-3-ethylpyrrolidin-2-one
SMILESCCCCN1CCC(CC)C1=O
InChIInChI=1S/C10H19NO/c1-3-5-7-11-8-6-9(4-2)10(11)12/h9H,3-8H2,1-2H3
InChIKeyQQPRLYCWJNZIQH-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds4

About 1-butyl-3-ethylpyrrolidin-2-one

1-butyl-3-ethylpyrrolidin-2-one (PubChem CID 14202329) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-butyl-3-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-ethylpyrrolidin-2-one
PubChem CID14202329
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-butyl-3-ethylpyrrolidin-2-one
SMILESCCCCN1CCC(CC)C1=O
InChIInChI=1S/C10H19NO/c1-3-5-7-11-8-6-9(4-2)10(11)12/h9H,3-8H2,1-2H3
InChIKeyQQPRLYCWJNZIQH-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethylpyrrolidin-2-one?
The IUPAC name of 1-butyl-3-ethylpyrrolidin-2-one (CID 14202329) is 1-butyl-3-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-butyl-3-ethylpyrrolidin-2-one?
The canonical SMILES for 1-butyl-3-ethylpyrrolidin-2-one is CCCCN1CCC(CC)C1=O.
What is the InChIKey of 1-butyl-3-ethylpyrrolidin-2-one?
The InChIKey is QQPRLYCWJNZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-7-11-8-6-9(4-2)10(11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-butyl-3-ethylpyrrolidin-2-one?
1-butyl-3-ethylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethylpyrrolidin-2-one is sourced from PubChem (CID 14202329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).