1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione

C8H11NO2 — CID 145491476

IUPAC1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione
SMILESC/C=C\CN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3/b3-2-
InChIKeyJFYVMZDLBAWMMS-IHWYPQMZSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds2

About 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione

1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione (PubChem CID 145491476) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione
PubChem CID145491476
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione
SMILESC/C=C\CN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3/b3-2-
InChIKeyJFYVMZDLBAWMMS-IHWYPQMZSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
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 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione (CID 145491476) is 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione is C/C=C\CN1C(=O)CCC1=O.
What is the InChIKey of 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is JFYVMZDLBAWMMS-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione?
1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 145491476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).