1-but-2-enylpyrrolidine-2,5-dione

C8H11NO2 — CID 70609957

IUPAC1-but-2-enylpyrrolidine-2,5-dione
SMILESCC=CCN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3
InChIKeyJFYVMZDLBAWMMS-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds2

About 1-but-2-enylpyrrolidine-2,5-dione

1-but-2-enylpyrrolidine-2,5-dione (PubChem CID 70609957) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-but-2-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-but-2-enylpyrrolidine-2,5-dione
PubChem CID70609957
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-but-2-enylpyrrolidine-2,5-dione
SMILESCC=CCN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3H,4-6H2,1H3
InChIKeyJFYVMZDLBAWMMS-UHFFFAOYSA-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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Related Compounds

3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
CID 143676783
1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one
CID 143014619
3-but-2-enyl-5,5-dimethyl-1,3-thiazolidine-2,4-dione
CID 71323453
1-[(E)-3-(4-methylphenyl)prop-2-enyl]piperidine-2,6-dione
CID 173100356
3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
CID 142249740
[(E)-but-2-enoxy]-(2,5-dioxopyrrolidin-1-yl)-oxophosphanium
CID 130463946
1-(trimethylsilylmethyl)pyrrolidine-2,5-dione
CID 10103885
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
1,3-bis[(E)-but-2-enyl]benzimidazol-2-one
CID 155329218
1-but-2-enyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 174837120
1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
CID 54527016
1,3-bis(but-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 54557283

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-but-2-enylpyrrolidine-2,5-dione (CID 70609957) is 1-but-2-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-but-2-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-but-2-enylpyrrolidine-2,5-dione is CC=CCN1C(=O)CCC1=O.
What is the InChIKey of 1-but-2-enylpyrrolidine-2,5-dione?
The InChIKey is JFYVMZDLBAWMMS-UHFFFAOYSA-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.
What are the key properties of 1-but-2-enylpyrrolidine-2,5-dione?
1-but-2-enylpyrrolidine-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-but-2-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 70609957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).