5-but-3-en-2-ylpyrrolidin-2-one

C8H13NO — CID 174843717

IUPAC5-but-3-en-2-ylpyrrolidin-2-one
SMILESC=CC(C)C1CCC(=O)N1
InChIInChI=1S/C8H13NO/c1-3-6(2)7-4-5-8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyAQNIKXLIUHGLLB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds2

About 5-but-3-en-2-ylpyrrolidin-2-one

5-but-3-en-2-ylpyrrolidin-2-one (PubChem CID 174843717) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-but-3-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-but-3-en-2-ylpyrrolidin-2-one
PubChem CID174843717
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-but-3-en-2-ylpyrrolidin-2-one
SMILESC=CC(C)C1CCC(=O)N1
InChIInChI=1S/C8H13NO/c1-3-6(2)7-4-5-8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyAQNIKXLIUHGLLB-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-ylpyrrolidin-2-one?
The IUPAC name of 5-but-3-en-2-ylpyrrolidin-2-one (CID 174843717) is 5-but-3-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-but-3-en-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-but-3-en-2-ylpyrrolidin-2-one is C=CC(C)C1CCC(=O)N1.
What is the InChIKey of 5-but-3-en-2-ylpyrrolidin-2-one?
The InChIKey is AQNIKXLIUHGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-6(2)7-4-5-8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 5-but-3-en-2-ylpyrrolidin-2-one?
5-but-3-en-2-ylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 174843717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).