2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide

C8H10N2O3 — CID 20755659

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-2-9-6(11)5-10-7(12)3-4-8(10)13/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyGZFUYXMACLMQNJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.95
Rot. Bonds3

About 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide

2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide (PubChem CID 20755659) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide
PubChem CID20755659
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-2-9-6(11)5-10-7(12)3-4-8(10)13/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyGZFUYXMACLMQNJ-UHFFFAOYSA-N
XLogP-0.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-ethylacetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide (CID 20755659) is 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide is CCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide?
The InChIKey is GZFUYXMACLMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-9-6(11)5-10-7(12)3-4-8(10)13/h3-4H,2,5H2,1H3,(H,9,11).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide?
2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide has a molecular weight of 182.18 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide is sourced from PubChem (CID 20755659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).