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

C9H12N2O4 — CID 118022981

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)NCCO)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-6(9(15)10-4-5-12)11-7(13)2-3-8(11)14/h2-3,6,12H,4-5H2,1H3,(H,10,15)
InChIKeyCLRRNXCJCNMWTC-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.59
Rot. Bonds4

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

2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 118022981) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID118022981
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)NCCO)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-6(9(15)10-4-5-12)11-7(13)2-3-8(11)14/h2-3,6,12H,4-5H2,1H3,(H,10,15)
InChIKeyCLRRNXCJCNMWTC-UHFFFAOYSA-N
XLogP-1.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-Hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 4531075
2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
CID 19108184
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
CID 58340890
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
CID 58493132
2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
CID 58493176
3-acetamido-2,4-bis(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)butanamide
CID 60055831
2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 60975184
2-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 61464858
2-(2,5-dioxopyrrol-1-yl)-N-(1-methoxyethyl)propanamide
CID 68018033
3-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 68404499
3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
CID 89343202
3-(2,5-dioxopyrrol-1-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 89502739

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide (CID 118022981) is 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide is CC(C(=O)NCCO)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is CLRRNXCJCNMWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6(9(15)10-4-5-12)11-7(13)2-3-8(11)14/h2-3,6,12H,4-5H2,1H3,(H,10,15).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide?
2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 212.20 g/mol, XLogP of -1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 118022981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).