1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione

C12H14N2O5 — CID 19432168

IUPAC1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione
SMILESCC(CCOC1CC(=O)NC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C12H14N2O5/c1-7(14-10(16)2-3-11(14)17)4-5-19-8-6-9(15)13-12(8)18/h2-3,7-8H,4-6H2,1H3,(H,13,15,18)
InChIKeyQBGDIESUUBOXAU-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.88
Rot. Bonds5

About 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione

1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione (PubChem CID 19432168) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione
PubChem CID19432168
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione
SMILESCC(CCOC1CC(=O)NC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C12H14N2O5/c1-7(14-10(16)2-3-11(14)17)4-5-19-8-6-9(15)13-12(8)18/h2-3,7-8H,4-6H2,1H3,(H,13,15,18)
InChIKeyQBGDIESUUBOXAU-UHFFFAOYSA-N
XLogP-0.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione with MolForge

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Related Compounds

1-(4-methoxybutan-2-yl)pyrrole-2,5-dione
CID 64606099
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
3-hydroperoxypyrrolidine-2,5-dione
CID 141263831
(2,5-dioxopyrrolidin-3-yl) ethanesulfonate
CID 87067948
(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 67940073
5-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 23174647
1-[1-(1-aminopropan-2-yloxy)propan-2-yl]pyrrole-2,5-dione
CID 123874538
4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 122482406
3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
CID 67153157
1-(4-methoxybutan-2-yl)imidazolidine-2,4-dione
CID 79777028
3-(4-methylphenoxy)pyrrolidine-2,5-dione
CID 20648098

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione (CID 19432168) is 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione is CC(CCOC1CC(=O)NC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione?
The InChIKey is QBGDIESUUBOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(14-10(16)2-3-11(14)17)4-5-19-8-6-9(15)13-12(8)18/h2-3,7-8H,4-6H2,1H3,(H,13,15,18).
What are the key properties of 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione?
1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione has a molecular weight of 266.25 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrolidin-3-yl)oxybutan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 19432168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).