5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one

C9H15NO — CID 12778188

IUPAC5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one
SMILESC/C=C(\C)C1CCC(=O)N1C
InChIInChI=1S/C9H15NO/c1-4-7(2)8-5-6-9(11)10(8)3/h4,8H,5-6H2,1-3H3/b7-4+
InChIKeyWSUYNFLOFRQPGB-QPJJXVBHSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one

5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one (PubChem CID 12778188) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one
PubChem CID12778188
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one
SMILESC/C=C(\C)C1CCC(=O)N1C
InChIInChI=1S/C9H15NO/c1-4-7(2)8-5-6-9(11)10(8)3/h4,8H,5-6H2,1-3H3/b7-4+
InChIKeyWSUYNFLOFRQPGB-QPJJXVBHSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
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 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one (CID 12778188) is 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one is C/C=C(\C)C1CCC(=O)N1C.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one?
The InChIKey is WSUYNFLOFRQPGB-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7(2)8-5-6-9(11)10(8)3/h4,8H,5-6H2,1-3H3/b7-4+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one?
5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 12778188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).