(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate

C15H16N2O7 — CID 138498571

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESO=C1CCC(=O)N1OCC12CC(C(=O)ON3C(=O)CCC3=O)(C1)C2
InChIInChI=1S/C15H16N2O7/c18-9-1-2-10(19)16(9)23-8-14-5-15(6-14,7-14)13(22)24-17-11(20)3-4-12(17)21/h1-8H2
InChIKeyPDYFVEKKSBWHGW-UHFFFAOYSA-N
MW336.30 g/mol
LogP-0.16
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate (PubChem CID 138498571) has the molecular formula C15H16N2O7 and a molecular weight of 336.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate
PubChem CID138498571
Molecular FormulaC15H16N2O7
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESO=C1CCC(=O)N1OCC12CC(C(=O)ON3C(=O)CCC3=O)(C1)C2
InChIInChI=1S/C15H16N2O7/c18-9-1-2-10(19)16(9)23-8-14-5-15(6-14,7-14)13(22)24-17-11(20)3-4-12(17)21/h1-8H2
InChIKeyPDYFVEKKSBWHGW-UHFFFAOYSA-N
XLogP-0.16
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 5-0.16
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

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
1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
CID 118183207
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate (CID 138498571) is (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate is O=C1CCC(=O)N1OCC12CC(C(=O)ON3C(=O)CCC3=O)(C1)C2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate?
The InChIKey is PDYFVEKKSBWHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O7/c18-9-1-2-10(19)16(9)23-8-14-5-15(6-14,7-14)13(22)24-17-11(20)3-4-12(17)21/h1-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate has a molecular weight of 336.30 g/mol, XLogP of -0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate is sourced from PubChem (CID 138498571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).