2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate

C11H15NO6 — CID 18718362

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO6/c1-2-16-7-8-18-11(15)17-6-5-12-9(13)3-4-10(12)14/h3-4H,2,5-8H2,1H3
InChIKeyDBOOTHBBVPCWPU-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.10
Rot. Bonds7

About 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate

2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate (PubChem CID 18718362) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate
PubChem CID18718362
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO6/c1-2-16-7-8-18-11(15)17-6-5-12-9(13)3-4-10(12)14/h3-4H,2,5-8H2,1H3
InChIKeyDBOOTHBBVPCWPU-UHFFFAOYSA-N
XLogP0.10
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate (CID 18718362) is 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate is CCOCCOC(=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate?
The InChIKey is DBOOTHBBVPCWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-2-16-7-8-18-11(15)17-6-5-12-9(13)3-4-10(12)14/h3-4H,2,5-8H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate?
2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate has a molecular weight of 257.24 g/mol, XLogP of 0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate is sourced from PubChem (CID 18718362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).