2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate

C7H10N2O4 — CID 141210825

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate
SMILESNC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C7H10N2O4/c8-7(12)13-4-3-9-5(10)1-2-6(9)11/h1-4H2,(H2,8,12)
InChIKeyORTJHXHREPWOAF-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.77
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate

2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate (PubChem CID 141210825) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate
PubChem CID141210825
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate
SMILESNC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C7H10N2O4/c8-7(12)13-4-3-9-5(10)1-2-6(9)11/h1-4H2,(H2,8,12)
InChIKeyORTJHXHREPWOAF-UHFFFAOYSA-N
XLogP-0.77
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.77
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-dioxopyrrolidin-1-yl)ethyl carbamate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate (CID 141210825) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate is NC(=O)OCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate?
The InChIKey is ORTJHXHREPWOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-7(12)13-4-3-9-5(10)1-2-6(9)11/h1-4H2,(H2,8,12).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate has a molecular weight of 186.17 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbamate is sourced from PubChem (CID 141210825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).