5-butanoylpyrrolidin-2-one

C8H13NO2 — CID 19796150

IUPAC5-butanoylpyrrolidin-2-one
SMILESCCCC(=O)C1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c1-2-3-7(10)6-4-5-8(11)9-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyUOZSHNFSIAVECD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds3

About 5-butanoylpyrrolidin-2-one

5-butanoylpyrrolidin-2-one (PubChem CID 19796150) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-butanoylpyrrolidin-2-one.

Molecular Properties

Compound Name5-butanoylpyrrolidin-2-one
PubChem CID19796150
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-butanoylpyrrolidin-2-one
SMILESCCCC(=O)C1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c1-2-3-7(10)6-4-5-8(11)9-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyUOZSHNFSIAVECD-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butanoylpyrrolidin-2-one?
The IUPAC name of 5-butanoylpyrrolidin-2-one (CID 19796150) is 5-butanoylpyrrolidin-2-one.
What is the SMILES notation for 5-butanoylpyrrolidin-2-one?
The canonical SMILES for 5-butanoylpyrrolidin-2-one is CCCC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-butanoylpyrrolidin-2-one?
The InChIKey is UOZSHNFSIAVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-7(10)6-4-5-8(11)9-6/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of 5-butanoylpyrrolidin-2-one?
5-butanoylpyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoylpyrrolidin-2-one is sourced from PubChem (CID 19796150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).