(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane

C16H24N2O6 — CID 145389696

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane
SMILESCC.CC.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O6.2C2H6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;2*1-2/h3-4H,1-2,5-7H2;2*1-2H3
InChIKeyKCGBSFMUZFFPRN-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.35
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane (PubChem CID 145389696) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane
PubChem CID145389696
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane
SMILESCC.CC.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O6.2C2H6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;2*1-2/h3-4H,1-2,5-7H2;2*1-2H3
InChIKeyKCGBSFMUZFFPRN-UHFFFAOYSA-N
XLogP1.35
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane (CID 145389696) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane is CC.CC.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane?
The InChIKey is KCGBSFMUZFFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6.2C2H6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;2*1-2/h3-4H,1-2,5-7H2;2*1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane has a molecular weight of 340.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane is sourced from PubChem (CID 145389696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).