3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione

C8H11NO2 — CID 59956973

IUPAC3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione
SMILESC=CC1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C8H11NO2/c1-4-5-6(10)8(2,3)9-7(5)11/h4-5H,1H2,2-3H3,(H,9,11)
InChIKeyBMNZMCZRCDCJTH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.27
Rot. Bonds1

About 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione

3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione (PubChem CID 59956973) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione
PubChem CID59956973
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione
SMILESC=CC1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C8H11NO2/c1-4-5-6(10)8(2,3)9-7(5)11/h4-5H,1H2,2-3H3,(H,9,11)
InChIKeyBMNZMCZRCDCJTH-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-But-2-enylpyrrolidine-2,3,5-trione
CID 123532539
5,5-Dimethyl-3-prop-2-enylpyrrolidin-2-one
CID 139389114
(3S)-5,5-dimethyl-4-propan-2-yl-3-prop-2-enoylpyrrolidin-2-one
CID 175603424
1-Azaspiro[4.4]non-7-ene-2,4-dione
CID 176013855
(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione
CID 177221104

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione (CID 59956973) is 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione is C=CC1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione?
The InChIKey is BMNZMCZRCDCJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-5-6(10)8(2,3)9-7(5)11/h4-5H,1H2,2-3H3,(H,9,11).
What are the key properties of 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione?
3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5,5-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 59956973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).