4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol

C10H15NO5 — CID 175505486

IUPAC4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol
SMILESCCO.O=C(O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4.C2H6O/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;1-2-3/h3-4H,1-2,5H2,(H,12,13);3H,2H2,1H3
InChIKeyRZZZKSZSCUANNR-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.23
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol

4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol (PubChem CID 175505486) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol
PubChem CID175505486
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol
SMILESCCO.O=C(O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4.C2H6O/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;1-2-3/h3-4H,1-2,5H2,(H,12,13);3H,2H2,1H3
InChIKeyRZZZKSZSCUANNR-UHFFFAOYSA-N
XLogP-0.23
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol (CID 175505486) is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol is CCO.O=C(O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol?
The InChIKey is RZZZKSZSCUANNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.C2H6O/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;1-2-3/h3-4H,1-2,5H2,(H,12,13);3H,2H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol?
4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol has a molecular weight of 229.23 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;ethanol is sourced from PubChem (CID 175505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).