1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione

C15H17NO2 — CID 4898136

IUPAC1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione
SMILESCCC=C1CC(=O)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C15H17NO2/c1-4-6-12-9-13(17)16(15(12)18)14-10(2)7-5-8-11(14)3/h5-8H,4,9H2,1-3H3
InChIKeyGTLVYSVYSWDEFL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione

1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione (PubChem CID 4898136) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione
PubChem CID4898136
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione
SMILESCCC=C1CC(=O)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C15H17NO2/c1-4-6-12-9-13(17)16(15(12)18)14-10(2)7-5-8-11(14)3/h5-8H,4,9H2,1-3H3
InChIKeyGTLVYSVYSWDEFL-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,5-dioxo-3-propylidenepyrrolidin-1-yl)benzoate
CID 4967746
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449115
[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 6947342
3,4-dibromo-1-(2-ethyl-6-methylphenyl)pyrrole-2,5-dione
CID 14349492
1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
2-propylidene-3H-inden-1-one
CID 131043443
2-chloro-1,3-bis(2,6-dimethylphenyl)-2H-1,3,2-diazastannole
CID 147973830
3-(2,6-dimethylphenyl)-1-propan-2-yl-2-sulfanylideneimidazolidin-4-one
CID 4852838
7-methyl-1-(2-methylpropyl)-3H-indol-2-one
CID 91178999
3-[(E)-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl]-4-ethyl-1-methylpyrrole-2,5-dione
CID 142967484
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione (CID 4898136) is 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione is CCC=C1CC(=O)N(c2c(C)cccc2C)C1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione?
The InChIKey is GTLVYSVYSWDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-6-12-9-13(17)16(15(12)18)14-10(2)7-5-8-11(14)3/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione?
1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione has a molecular weight of 243.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-propylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 4898136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).