2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide

C9H12N2O3 — CID 43567918

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-6(2)10-7(12)5-11-8(13)3-4-9(11)14/h3-4,6H,5H2,1-2H3,(H,10,12)
InChIKeyVLXYIGAKQXKQPM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.56
Rot. Bonds3

About 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide

2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide (PubChem CID 43567918) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide
PubChem CID43567918
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-6(2)10-7(12)5-11-8(13)3-4-9(11)14/h3-4,6H,5H2,1-2H3,(H,10,12)
InChIKeyVLXYIGAKQXKQPM-UHFFFAOYSA-N
XLogP-0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.56
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-propan-2-ylacetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide (CID 43567918) is 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is VLXYIGAKQXKQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(2)10-7(12)5-11-8(13)3-4-9(11)14/h3-4,6H,5H2,1-2H3,(H,10,12).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide?
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 196.21 g/mol, XLogP of -0.56, 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-propan-2-ylacetamide is sourced from PubChem (CID 43567918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).