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

C11H17NO5 — CID 175505485

IUPAC5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol
SMILESCCO.O=C(O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4.C2H6O/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14;1-2-3/h4-5H,1-3,6H2,(H,13,14);3H,2H2,1H3
InChIKeyRHUHKYISJLWDOO-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.16
Rot. Bonds5

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

5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol (PubChem CID 175505485) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol
PubChem CID175505485
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol
SMILESCCO.O=C(O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4.C2H6O/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14;1-2-3/h4-5H,1-3,6H2,(H,13,14);3H,2H2,1H3
InChIKeyRHUHKYISJLWDOO-UHFFFAOYSA-N
XLogP0.16
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol (CID 175505485) is 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol is CCO.O=C(O)CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol?
The InChIKey is RHUHKYISJLWDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4.C2H6O/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14;1-2-3/h4-5H,1-3,6H2,(H,13,14);3H,2H2,1H3.
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol?
5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol has a molecular weight of 243.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pentanoic acid;ethanol is sourced from PubChem (CID 175505485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).