2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate

C11H16N2O5 — CID 130351418

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O5/c1-2-12-11(16)18-8-7-17-6-5-13-9(14)3-4-10(13)15/h3-4H,2,5-8H2,1H3,(H,12,16)
InChIKeyNPVMEOXLZYEHGG-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.33
Rot. Bonds7

About 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate

2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate (PubChem CID 130351418) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate
PubChem CID130351418
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O5/c1-2-12-11(16)18-8-7-17-6-5-13-9(14)3-4-10(13)15/h3-4H,2,5-8H2,1H3,(H,12,16)
InChIKeyNPVMEOXLZYEHGG-UHFFFAOYSA-N
XLogP-0.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate (CID 130351418) is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate is CCNC(=O)OCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate?
The InChIKey is NPVMEOXLZYEHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-2-12-11(16)18-8-7-17-6-5-13-9(14)3-4-10(13)15/h3-4H,2,5-8H2,1H3,(H,12,16).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate?
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate has a molecular weight of 256.26 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-ethylcarbamate is sourced from PubChem (CID 130351418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).