3-[(E)-but-2-enyl]pyrrolidine-2,5-dione

C8H11NO2 — CID 19892300

IUPAC3-[(E)-but-2-enyl]pyrrolidine-2,5-dione
SMILESC/C=C/CC1CC(=O)NC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-4-6-5-7(10)9-8(6)11/h2-3,6H,4-5H2,1H3,(H,9,10,11)/b3-2+
InChIKeyQARVIFSSVYRLGW-NSCUHMNNSA-N
MW153.18 g/mol
LogP0.62
Rot. Bonds2

About 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione

3-[(E)-but-2-enyl]pyrrolidine-2,5-dione (PubChem CID 19892300) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]pyrrolidine-2,5-dione
PubChem CID19892300
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-[(E)-but-2-enyl]pyrrolidine-2,5-dione
SMILESC/C=C/CC1CC(=O)NC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-4-6-5-7(10)9-8(6)11/h2-3,6H,4-5H2,1H3,(H,9,10,11)/b3-2+
InChIKeyQARVIFSSVYRLGW-NSCUHMNNSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione (CID 19892300) is 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione is C/C=C/CC1CC(=O)NC1=O.
What is the InChIKey of 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is QARVIFSSVYRLGW-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-4-6-5-7(10)9-8(6)11/h2-3,6H,4-5H2,1H3,(H,9,10,11)/b3-2+.
What are the key properties of 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione?
3-[(E)-but-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19892300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).