1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione

C22H22N4O8 — CID 161472788

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione
SMILESCC(C)C(N1C(=O)C=CC1=O)N1C(=O)C=CC1=O.CC(N1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O4.C10H10N2O4/c1-7(2)12(13-8(15)3-4-9(13)16)14-10(17)5-6-11(14)18;1-6(11-7(13)2-3-8(11)14)12-9(15)4-5-10(12)16/h3-7,12H,1-2H3;2-3,6H,4-5H2,1H3
InChIKeyWDHRPPLQBVYLCE-UHFFFAOYSA-N
MW470.44 g/mol
LogP-0.78
Rot. Bonds5

About 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione (PubChem CID 161472788) has the molecular formula C22H22N4O8 and a molecular weight of 470.44 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione
PubChem CID161472788
Molecular FormulaC22H22N4O8
Molecular Weight470.44 g/mol
Exact Mass470.14
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione
SMILESCC(C)C(N1C(=O)C=CC1=O)N1C(=O)C=CC1=O.CC(N1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O4.C10H10N2O4/c1-7(2)12(13-8(15)3-4-9(13)16)14-10(17)5-6-11(14)18;1-6(11-7(13)2-3-8(11)14)12-9(15)4-5-10(12)16/h3-7,12H,1-2H3;2-3,6H,4-5H2,1H3
InChIKeyWDHRPPLQBVYLCE-UHFFFAOYSA-N
XLogP-0.78
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione with MolForge

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Related Compounds

1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
CID 150546781
1-(3-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 122537450
1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
CID 51703961
1-[1-[4-[1-(2,5-dioxopyrrol-1-yl)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]pyrrole-2,5-dione
CID 69493446
1-[1-[bis[1-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidine-2,5-dione
CID 18758823
1-(1-trimethylsilylethyl)pyrrole-2,5-dione
CID 67677734
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate
CID 167101297
(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)butanoate
CID 164785156
ethane;1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 176999614
1-(2,5-dioxopyrrol-1-yl)ethylphosphonic acid
CID 67705894
1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione (CID 161472788) is 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione is CC(C)C(N1C(=O)C=CC1=O)N1C(=O)C=CC1=O.CC(N1C(=O)C=CC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione?
The InChIKey is WDHRPPLQBVYLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.C10H10N2O4/c1-7(2)12(13-8(15)3-4-9(13)16)14-10(17)5-6-11(14)18;1-6(11-7(13)2-3-8(11)14)12-9(15)4-5-10(12)16/h3-7,12H,1-2H3;2-3,6H,4-5H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione has a molecular weight of 470.44 g/mol, XLogP of -0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione is sourced from PubChem (CID 161472788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).