(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C12H17NO4 — CID 794147

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)ON2C(=O)CCC2=O)C1(C)C
InChIInChI=1S/C12H17NO4/c1-11(2)9(12(11,3)4)10(16)17-13-7(14)5-6-8(13)15/h9H,5-6H2,1-4H3
InChIKeyWMFZEBUYYHEXEM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.28
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 794147) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID794147
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)ON2C(=O)CCC2=O)C1(C)C
InChIInChI=1S/C12H17NO4/c1-11(2)9(12(11,3)4)10(16)17-13-7(14)5-6-8(13)15/h9H,5-6H2,1-4H3
InChIKeyWMFZEBUYYHEXEM-UHFFFAOYSA-N
XLogP1.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate
CID 87631678
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
CID 3800640
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate
CID 98102285
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 177217862
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 794147) is (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CC1(C)C(C(=O)ON2C(=O)CCC2=O)C1(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is WMFZEBUYYHEXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-11(2)9(12(11,3)4)10(16)17-13-7(14)5-6-8(13)15/h9H,5-6H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 794147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).