(2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate

C10H9N3O5 — CID 151042342

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate
SMILESCC(=NN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H9N3O5/c1-6(11-12-7(14)2-3-8(12)15)18-13-9(16)4-5-10(13)17/h2-3H,4-5H2,1H3
InChIKeyMCIUVTDXNKXXOQ-UHFFFAOYSA-N
MW251.20 g/mol
LogP-0.67
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate

(2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate (PubChem CID 151042342) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate
PubChem CID151042342
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate
SMILESCC(=NN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H9N3O5/c1-6(11-12-7(14)2-3-8(12)15)18-13-9(16)4-5-10(13)17/h2-3H,4-5H2,1H3
InChIKeyMCIUVTDXNKXXOQ-UHFFFAOYSA-N
XLogP-0.67
TPSA96.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,5-Dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione
CID 151567314
N-(2,5-dioxopyrrolidin-1-yl)-N-(2,5-dioxopyrrol-1-yl)propanamide
CID 175692903

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate (CID 151042342) is (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate is CC(=NN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate?
The InChIKey is MCIUVTDXNKXXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c1-6(11-12-7(14)2-3-8(12)15)18-13-9(16)4-5-10(13)17/h2-3H,4-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate?
(2,5-dioxopyrrolidin-1-yl) N-(2,5-dioxopyrrol-1-yl)ethanimidate has a molecular weight of 251.20 g/mol, XLogP of -0.67, 2 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) N-(2,5-dioxopyrrol-1-yl)ethanimidate is sourced from PubChem (CID 151042342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).