4-butyl-4-ethylpyrrolidin-2-one

C10H19NO — CID 23386996

IUPAC4-butyl-4-ethylpyrrolidin-2-one
SMILESCCCCC1(CC)CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-5-6-10(4-2)7-9(12)11-8-10/h3-8H2,1-2H3,(H,11,12)
InChIKeyVXZWAPTXMFFFIV-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds4

About 4-butyl-4-ethylpyrrolidin-2-one

4-butyl-4-ethylpyrrolidin-2-one (PubChem CID 23386996) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-butyl-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-butyl-4-ethylpyrrolidin-2-one
PubChem CID23386996
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-butyl-4-ethylpyrrolidin-2-one
SMILESCCCCC1(CC)CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-5-6-10(4-2)7-9(12)11-8-10/h3-8H2,1-2H3,(H,11,12)
InChIKeyVXZWAPTXMFFFIV-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-ethylpyrrolidin-2-one?
The IUPAC name of 4-butyl-4-ethylpyrrolidin-2-one (CID 23386996) is 4-butyl-4-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-butyl-4-ethylpyrrolidin-2-one?
The canonical SMILES for 4-butyl-4-ethylpyrrolidin-2-one is CCCCC1(CC)CNC(=O)C1.
What is the InChIKey of 4-butyl-4-ethylpyrrolidin-2-one?
The InChIKey is VXZWAPTXMFFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-10(4-2)7-9(12)11-8-10/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 4-butyl-4-ethylpyrrolidin-2-one?
4-butyl-4-ethylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 23386996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).