1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one

C10H15NO — CID 14942504

IUPAC1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
SMILESC=CC1CCC(=O)N1C/C=C/C
InChIInChI=1S/C10H15NO/c1-3-5-8-11-9(4-2)6-7-10(11)12/h3-5,9H,2,6-8H2,1H3/b5-3+
InChIKeyFGZTZSOTBZQHAS-HWKANZROSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds3

About 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one

1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one (PubChem CID 14942504) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
PubChem CID14942504
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
SMILESC=CC1CCC(=O)N1C/C=C/C
InChIInChI=1S/C10H15NO/c1-3-5-8-11-9(4-2)6-7-10(11)12/h3-5,9H,2,6-8H2,1H3/b5-3+
InChIKeyFGZTZSOTBZQHAS-HWKANZROSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
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 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one (CID 14942504) is 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one is C=CC1CCC(=O)N1C/C=C/C.
What is the InChIKey of 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one?
The InChIKey is FGZTZSOTBZQHAS-HWKANZROSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-8-11-9(4-2)6-7-10(11)12/h3-5,9H,2,6-8H2,1H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one?
1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one is sourced from PubChem (CID 14942504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).