potassium 4-(2,5-dioxopyrrol-1-yl)butanoate

C8H8KNO4 — CID 172866330

IUPACpotassium 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C([O-])CCCN1C(=O)C=CC1=O.[K+]
InChIInChI=1S/C8H9NO4.K/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;/h3-4H,1-2,5H2,(H,12,13);/q;+1/p-1
InChIKeyNQFUPNUXOMETSZ-UHFFFAOYSA-M
MW221.25 g/mol
LogP-4.55
Rot. Bonds4

About potassium 4-(2,5-dioxopyrrol-1-yl)butanoate

potassium 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 172866330) has the molecular formula C8H8KNO4 and a molecular weight of 221.25 g/mol. Its IUPAC name is potassium 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Namepotassium 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID172866330
Molecular FormulaC8H8KNO4
Molecular Weight221.25 g/mol
Exact Mass221.01
IUPAC Namepotassium 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C([O-])CCCN1C(=O)C=CC1=O.[K+]
InChIInChI=1S/C8H9NO4.K/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;/h3-4H,1-2,5H2,(H,12,13);/q;+1/p-1
InChIKeyNQFUPNUXOMETSZ-UHFFFAOYSA-M
XLogP-4.55
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-4.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
CID 170745532
CID 170745532
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]butanoate
CID 7109245
1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
CID 122407757
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769

Frequently Asked Questions

What is the IUPAC name of potassium 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of potassium 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 172866330) is potassium 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for potassium 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for potassium 4-(2,5-dioxopyrrol-1-yl)butanoate is O=C([O-])CCCN1C(=O)C=CC1=O.[K+].
What is the InChIKey of potassium 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is NQFUPNUXOMETSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO4.K/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;/h3-4H,1-2,5H2,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 4-(2,5-dioxopyrrol-1-yl)butanoate?
potassium 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 221.25 g/mol, XLogP of -4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 172866330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).