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

C8H10N2O3 — CID 43402672

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-6(11)9-4-5-10-7(12)2-3-8(10)13/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyZQZOTIMSPHQRBG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.95
Rot. Bonds3

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

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (PubChem CID 43402672) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
PubChem CID43402672
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-6(11)9-4-5-10-7(12)2-3-8(10)13/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyZQZOTIMSPHQRBG-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 N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (CID 43402672) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is CC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is ZQZOTIMSPHQRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(11)9-4-5-10-7(12)2-3-8(10)13/h2-3H,4-5H2,1H3,(H,9,11).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide 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 N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 43402672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).