[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate

C11H8N2O4 — CID 68846324

IUPAC[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H8N2O4/c12-11(16)17-8-4-2-1-3-7(8)13-9(14)5-6-10(13)15/h1-6H,(H2,12,16)
InChIKeyNCNCEQOMVFQLST-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.57
Rot. Bonds2

About [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate

[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate (PubChem CID 68846324) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate
PubChem CID68846324
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H8N2O4/c12-11(16)17-8-4-2-1-3-7(8)13-9(14)5-6-10(13)15/h1-6H,(H2,12,16)
InChIKeyNCNCEQOMVFQLST-UHFFFAOYSA-N
XLogP0.57
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)phenyl] carbamate?
The IUPAC name of [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate (CID 68846324) is [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate.
What is the SMILES notation for [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate?
The canonical SMILES for [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate is NC(=O)Oc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate?
The InChIKey is NCNCEQOMVFQLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c12-11(16)17-8-4-2-1-3-7(8)13-9(14)5-6-10(13)15/h1-6H,(H2,12,16).
What are the key properties of [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate?
[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate has a molecular weight of 232.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate is sourced from PubChem (CID 68846324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).