1-(5-iodopentyl)pyrrole-2,5-dione

C9H12INO2 — CID 89213790

IUPAC1-(5-iodopentyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCI
InChIInChI=1S/C9H12INO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5H,1-3,6-7H2
InChIKeyJRIQOTJPRSQOBY-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.52
Rot. Bonds5

About 1-(5-iodopentyl)pyrrole-2,5-dione

1-(5-iodopentyl)pyrrole-2,5-dione (PubChem CID 89213790) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is 1-(5-iodopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-iodopentyl)pyrrole-2,5-dione
PubChem CID89213790
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name1-(5-iodopentyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCI
InChIInChI=1S/C9H12INO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5H,1-3,6-7H2
InChIKeyJRIQOTJPRSQOBY-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
1-(6-nitrosohexyl)pyrrole-2,5-dione
CID 154992284
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
1-(6-oxohexyl)pyrrole-2,5-dione;zinc
CID 175747190
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
CID 170745532
CID 170745532

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-iodopentyl)pyrrole-2,5-dione (CID 89213790) is 1-(5-iodopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-iodopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-iodopentyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCI.
What is the InChIKey of 1-(5-iodopentyl)pyrrole-2,5-dione?
The InChIKey is JRIQOTJPRSQOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5H,1-3,6-7H2.
What are the key properties of 1-(5-iodopentyl)pyrrole-2,5-dione?
1-(5-iodopentyl)pyrrole-2,5-dione has a molecular weight of 293.10 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 89213790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).