1-methyl-3-prop-2-enylpyrrolidine-2,5-dione

C8H11NO2 — CID 23382723

IUPAC1-methyl-3-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CCC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H11NO2/c1-3-4-6-5-7(10)9(2)8(6)11/h3,6H,1,4-5H2,2H3
InChIKeyVQJBTEQEJOGTOC-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione

1-methyl-3-prop-2-enylpyrrolidine-2,5-dione (PubChem CID 23382723) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-prop-2-enylpyrrolidine-2,5-dione
PubChem CID23382723
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-methyl-3-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CCC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H11NO2/c1-3-4-6-5-7(10)9(2)8(6)11/h3,6H,1,4-5H2,2H3
InChIKeyVQJBTEQEJOGTOC-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
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

2-Ethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 601567
N-Propyl-4-cyclohexene-1,2-dicarboximide
CID 16236
(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
CID 146560714
1,2,3,6-Tetrahydro-N-methylphthalimide
CID 94219
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193
Tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134881248
tert-butyl (4S)-2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134895615
1-Hex-5-enoylpyrrolidine-2,5-dione
CID 154710212
4-Cyclohexene-1,2-dicarboximide, N-ethyl-, cis-
CID 91727263
(3aR,7aS)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11030173
3-Ethenyl-1-ethylpyrrolidin-2-one
CID 13847896
2-Methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 19995477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione (CID 23382723) is 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione is C=CCC1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione?
The InChIKey is VQJBTEQEJOGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-6-5-7(10)9(2)8(6)11/h3,6H,1,4-5H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione?
1-methyl-3-prop-2-enylpyrrolidine-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 23382723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).