2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate

C8H10N2O4 — CID 59459669

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c1-9-8(13)14-5-4-10-6(11)2-3-7(10)12/h2-3H,4-5H2,1H3,(H,9,13)
InChIKeyLMQWJQNDWXYMBF-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.73
Rot. Bonds3

About 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate

2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate (PubChem CID 59459669) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate
PubChem CID59459669
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c1-9-8(13)14-5-4-10-6(11)2-3-7(10)12/h2-3H,4-5H2,1H3,(H,9,13)
InChIKeyLMQWJQNDWXYMBF-UHFFFAOYSA-N
XLogP-0.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.73
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)ethyl N-methylcarbamate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate (CID 59459669) is 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate is CNC(=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate?
The InChIKey is LMQWJQNDWXYMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-9-8(13)14-5-4-10-6(11)2-3-7(10)12/h2-3H,4-5H2,1H3,(H,9,13).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate?
2-(2,5-dioxopyrrol-1-yl)ethyl N-methylcarbamate has a molecular weight of 198.18 g/mol, XLogP of -0.73, 3 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)ethyl N-methylcarbamate is sourced from PubChem (CID 59459669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).