2-(2,5-dioxopyrrol-1-yl)propanamide

C7H8N2O3 — CID 18474177

IUPAC2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c1-4(7(8)12)9-5(10)2-3-6(9)11/h2-4H,1H3,(H2,8,12)
InChIKeyDNITTWABAYHZQU-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.21
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)propanamide

2-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 18474177) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID18474177
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c1-4(7(8)12)9-5(10)2-3-6(9)11/h2-4H,1H3,(H2,8,12)
InChIKeyDNITTWABAYHZQU-UHFFFAOYSA-N
XLogP-1.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.21
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)propanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)propanamide (CID 18474177) is 2-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)propanamide is CC(C(N)=O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is DNITTWABAYHZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4(7(8)12)9-5(10)2-3-6(9)11/h2-4H,1H3,(H2,8,12).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)propanamide?
2-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 168.15 g/mol, XLogP of -1.21, 2 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)propanamide is sourced from PubChem (CID 18474177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).