(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate

C8H10INO4 — CID 86194285

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
SMILESO=C(CCCI)ON1C(=O)CCC1=O
InChIInChI=1S/C8H10INO4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h1-5H2
InChIKeyBYWACWRZEYWNAI-UHFFFAOYSA-N
MW311.08 g/mol
LogP0.81
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate (PubChem CID 86194285) has the molecular formula C8H10INO4 and a molecular weight of 311.08 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
PubChem CID86194285
Molecular FormulaC8H10INO4
Molecular Weight311.08 g/mol
Exact Mass310.97
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
SMILESO=C(CCCI)ON1C(=O)CCC1=O
InChIInChI=1S/C8H10INO4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h1-5H2
InChIKeyBYWACWRZEYWNAI-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.08
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate (CID 86194285) is (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate is O=C(CCCI)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate?
The InChIKey is BYWACWRZEYWNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h1-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate has a molecular weight of 311.08 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate is sourced from PubChem (CID 86194285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).