1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione

C9H13NO4 — CID 59992624

IUPAC1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCOCCO
InChIInChI=1S/C9H13NO4/c11-5-7-14-6-1-4-10-8(12)2-3-9(10)13/h2-3,11H,1,4-7H2
InChIKeyACIWDRNHNGAFTK-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.69
Rot. Bonds6

About 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione

1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione (PubChem CID 59992624) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
PubChem CID59992624
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCOCCO
InChIInChI=1S/C9H13NO4/c11-5-7-14-6-1-4-10-8(12)2-3-9(10)13/h2-3,11H,1,4-7H2
InChIKeyACIWDRNHNGAFTK-UHFFFAOYSA-N
XLogP-0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
2-[3-(2-hydroxyethoxy)propyl]-4,7-dimethylisoindole-1,3-dione
CID 106304964
3-(2,5-dioxopyrrol-1-yl)propyl carbonochloridate
CID 153373502
5-cyclobutylidene-1-[2-(2-hydroxyethoxy)ethyl]pyrrol-2-one
CID 177002874
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 138557066
2-[3-(2-hydroxyethoxy)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 114171092
S-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl] 5-[5-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]sulfanyl-5-oxopentoxy]pentanethioate
CID 158165521
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione (CID 59992624) is 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCOCCO.
What is the InChIKey of 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione?
The InChIKey is ACIWDRNHNGAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-5-7-14-6-1-4-10-8(12)2-3-9(10)13/h2-3,11H,1,4-7H2.
What are the key properties of 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione?
1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione has a molecular weight of 199.21 g/mol, XLogP of -0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 59992624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).