1-ethenyl-3-ethylidenepyrrolidin-2-one

C8H11NO — CID 54523064

IUPAC1-ethenyl-3-ethylidenepyrrolidin-2-one
SMILESC=CN1CCC(=CC)C1=O
InChIInChI=1S/C8H11NO/c1-3-7-5-6-9(4-2)8(7)10/h3-4H,2,5-6H2,1H3
InChIKeyYRFBEFZSVRNWBO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.31
Rot. Bonds1

About 1-ethenyl-3-ethylidenepyrrolidin-2-one

1-ethenyl-3-ethylidenepyrrolidin-2-one (PubChem CID 54523064) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-ethenyl-3-ethylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3-ethylidenepyrrolidin-2-one
PubChem CID54523064
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-ethenyl-3-ethylidenepyrrolidin-2-one
SMILESC=CN1CCC(=CC)C1=O
InChIInChI=1S/C8H11NO/c1-3-7-5-6-9(4-2)8(7)10/h3-4H,2,5-6H2,1H3
InChIKeyYRFBEFZSVRNWBO-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethylidenepyrrolidin-2-one?
The IUPAC name of 1-ethenyl-3-ethylidenepyrrolidin-2-one (CID 54523064) is 1-ethenyl-3-ethylidenepyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-3-ethylidenepyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-3-ethylidenepyrrolidin-2-one is C=CN1CCC(=CC)C1=O.
What is the InChIKey of 1-ethenyl-3-ethylidenepyrrolidin-2-one?
The InChIKey is YRFBEFZSVRNWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7-5-6-9(4-2)8(7)10/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-ethenyl-3-ethylidenepyrrolidin-2-one?
1-ethenyl-3-ethylidenepyrrolidin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethylidenepyrrolidin-2-one is sourced from PubChem (CID 54523064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).