3-but-3-enylpyrrolidin-2-one

C8H13NO — CID 14974622

IUPAC3-but-3-enylpyrrolidin-2-one
SMILESC=CCCC1CCNC1=O
InChIInChI=1S/C8H13NO/c1-2-3-4-7-5-6-9-8(7)10/h2,7H,1,3-6H2,(H,9,10)
InChIKeyPVZPISASJMFNFT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds3

About 3-but-3-enylpyrrolidin-2-one

3-but-3-enylpyrrolidin-2-one (PubChem CID 14974622) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-but-3-enylpyrrolidin-2-one.

Molecular Properties

Compound Name3-but-3-enylpyrrolidin-2-one
PubChem CID14974622
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-but-3-enylpyrrolidin-2-one
SMILESC=CCCC1CCNC1=O
InChIInChI=1S/C8H13NO/c1-2-3-4-7-5-6-9-8(7)10/h2,7H,1,3-6H2,(H,9,10)
InChIKeyPVZPISASJMFNFT-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 3-but-3-enylpyrrolidin-2-one?
The IUPAC name of 3-but-3-enylpyrrolidin-2-one (CID 14974622) is 3-but-3-enylpyrrolidin-2-one.
What is the SMILES notation for 3-but-3-enylpyrrolidin-2-one?
The canonical SMILES for 3-but-3-enylpyrrolidin-2-one is C=CCCC1CCNC1=O.
What is the InChIKey of 3-but-3-enylpyrrolidin-2-one?
The InChIKey is PVZPISASJMFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-7-5-6-9-8(7)10/h2,7H,1,3-6H2,(H,9,10).
What are the key properties of 3-but-3-enylpyrrolidin-2-one?
3-but-3-enylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enylpyrrolidin-2-one is sourced from PubChem (CID 14974622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).