5-ethenyl-1-pent-4-enylpyrrolidin-2-one

C11H17NO — CID 121220896

IUPAC5-ethenyl-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CCC1C=C
InChIInChI=1S/C11H17NO/c1-3-5-6-9-12-10(4-2)7-8-11(12)13/h3-4,10H,1-2,5-9H2
InChIKeyHLDGDDZYDBVETP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds5

About 5-ethenyl-1-pent-4-enylpyrrolidin-2-one

5-ethenyl-1-pent-4-enylpyrrolidin-2-one (PubChem CID 121220896) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-ethenyl-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-1-pent-4-enylpyrrolidin-2-one
PubChem CID121220896
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-ethenyl-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CCC1C=C
InChIInChI=1S/C11H17NO/c1-3-5-6-9-12-10(4-2)7-8-11(12)13/h3-4,10H,1-2,5-9H2
InChIKeyHLDGDDZYDBVETP-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of 5-ethenyl-1-pent-4-enylpyrrolidin-2-one (CID 121220896) is 5-ethenyl-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for 5-ethenyl-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for 5-ethenyl-1-pent-4-enylpyrrolidin-2-one is C=CCCCN1C(=O)CCC1C=C.
What is the InChIKey of 5-ethenyl-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is HLDGDDZYDBVETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-6-9-12-10(4-2)7-8-11(12)13/h3-4,10H,1-2,5-9H2.
What are the key properties of 5-ethenyl-1-pent-4-enylpyrrolidin-2-one?
5-ethenyl-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 121220896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).