1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione

C11H15NO2 — CID 155096687

IUPAC1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione
SMILESC=CCC1C(=O)N(C)C(=O)C1CC=C
InChIInChI=1S/C11H15NO2/c1-4-6-8-9(7-5-2)11(14)12(3)10(8)13/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyYKISNQXSXGTJKY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds4

About 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione

1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione (PubChem CID 155096687) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione
PubChem CID155096687
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione
SMILESC=CCC1C(=O)N(C)C(=O)C1CC=C
InChIInChI=1S/C11H15NO2/c1-4-6-8-9(7-5-2)11(14)12(3)10(8)13/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyYKISNQXSXGTJKY-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
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

(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one
CID 11286503
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
5-ethenyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 59723669
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
CID 58012719
[(2S,3S,4R)-4-acetyloxy-1-methyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 10879681
(1R,5R,8S)-3,7,8-tris(prop-2-enyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6-trione
CID 134831395
3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 129191042
(3R)-4-[(1E)-buta-1,3-dienyl]-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 100932719
6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 158345725
4-tert-butyl-5-prop-2-enylcyclopent-2-en-1-one
CID 130030323
(3S,4S)-1-benzyl-3-(2-chloroprop-2-enyl)-4-prop-2-enylpyrrolidine-2,5-dione
CID 10881235
2-tert-butyl-4-oxo-3-prop-2-enylpyrrolidine-1-carboxylic acid
CID 129072485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione (CID 155096687) is 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione is C=CCC1C(=O)N(C)C(=O)C1CC=C.
What is the InChIKey of 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione?
The InChIKey is YKISNQXSXGTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-6-8-9(7-5-2)11(14)12(3)10(8)13/h4-5,8-9H,1-2,6-7H2,3H3.
What are the key properties of 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione?
1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 155096687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).