1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate

C18H26N2O7 — CID 159060589

IUPAC1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)N1C(=O)CCC1=O.CC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO4.C9H13NO3/c1-9(2,3)8(13)14-10-6(11)4-5-7(10)12;1-9(2,3)8(13)10-6(11)4-5-7(10)12/h4-5H2,1-3H3;4-5H2,1-3H3
InChIKeyJYKLBXPVKFICQO-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.35
Rot. Bonds1

About 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate

1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 159060589) has the molecular formula C18H26N2O7 and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
PubChem CID159060589
Molecular FormulaC18H26N2O7
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)N1C(=O)CCC1=O.CC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO4.C9H13NO3/c1-9(2,3)8(13)14-10-6(11)4-5-7(10)12;1-9(2,3)8(13)10-6(11)4-5-7(10)12/h4-5H2,1-3H3;4-5H2,1-3H3
InChIKeyJYKLBXPVKFICQO-UHFFFAOYSA-N
XLogP1.35
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
CID 129106442
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 129142210
[3-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-methylpropyl]-2,5-dioxopyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 146227382
1-(2,2-dimethylbutanoyl)pyrrolidine-2,5-dione
CID 118119759
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 71060223
(2,5-dioxopyrrolidin-1-yl) 5-[ethyl(methyl)amino]-2,2,4,4-tetramethylpentanoate
CID 155214486
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate (CID 159060589) is 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)N1C(=O)CCC1=O.CC(C)(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is JYKLBXPVKFICQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4.C9H13NO3/c1-9(2,3)8(13)14-10-6(11)4-5-7(10)12;1-9(2,3)8(13)10-6(11)4-5-7(10)12/h4-5H2,1-3H3;4-5H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate?
1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 382.41 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 159060589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).