(2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione

C12H14N2O7 — CID 175381082

IUPAC(2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
SMILESCCCC(=O)ON1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C8H9NO4.C4H5NO3/c1-2-3-8(12)13-9-6(10)4-5-7(9)11;6-3-1-2-4(7)5(3)8/h4-5H,2-3H2,1H3;8H,1-2H2
InChIKeyPLKYCLGKNKCBOB-UHFFFAOYSA-N
MW298.25 g/mol
LogP-0.31
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione

(2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione (PubChem CID 175381082) has the molecular formula C12H14N2O7 and a molecular weight of 298.25 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
PubChem CID175381082
Molecular FormulaC12H14N2O7
Molecular Weight298.25 g/mol
Exact Mass298.08
IUPAC Name(2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
SMILESCCCC(=O)ON1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C8H9NO4.C4H5NO3/c1-2-3-8(12)13-9-6(10)4-5-7(9)11;6-3-1-2-4(7)5(3)8/h4-5H,2-3H2,1H3;8H,1-2H2
InChIKeyPLKYCLGKNKCBOB-UHFFFAOYSA-N
XLogP-0.31
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997
2,5-Dioxopyrrolidin-1-yl 3-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)propanoate
CID 57755348
bis(2,5-dioxopyrrolidin-1-yl) (E)-but-2-enedioate
CID 58265454
Acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 69079401
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 69254513
1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
CID 71114953
1-[(But-2-enoyl)oxy]pyrrolidine-2,5-dione
CID 71365111
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87930817
(2,5-Dioxopyrrolidin-1-yl) but-2-enoate
CID 117893246
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione (CID 175381082) is (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione is CCCC(=O)ON1C(=O)C=CC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is PLKYCLGKNKCBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.C4H5NO3/c1-2-3-8(12)13-9-6(10)4-5-7(9)11;6-3-1-2-4(7)5(3)8/h4-5H,2-3H2,1H3;8H,1-2H2.
What are the key properties of (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione?
(2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 298.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 175381082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).