3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide

C12H18N2O5 — CID 121388616

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCOCCO
InChIInChI=1S/C12H18N2O5/c15-7-9-19-8-1-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h2-3,15H,1,4-9H2,(H,13,16)
InChIKeyXWYUWVGOZYWYLO-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.18
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide (PubChem CID 121388616) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
PubChem CID121388616
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCOCCO
InChIInChI=1S/C12H18N2O5/c15-7-9-19-8-1-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h2-3,15H,1,4-9H2,(H,13,16)
InChIKeyXWYUWVGOZYWYLO-UHFFFAOYSA-N
XLogP-1.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide (CID 121388616) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCCOCCO.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
The InChIKey is XWYUWVGOZYWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-7-9-19-8-1-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h2-3,15H,1,4-9H2,(H,13,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide has a molecular weight of 270.29 g/mol, XLogP of -1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide is sourced from PubChem (CID 121388616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).