(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate

C7H10INO5 — CID 156562908

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
SMILESO=C(OCCI)ON1C(=O)CCC1O
InChIInChI=1S/C7H10INO5/c8-3-4-13-7(12)14-9-5(10)1-2-6(9)11/h5,10H,1-4H2
InChIKeyQJEJLMVVKPHYGX-UHFFFAOYSA-N
MW315.06 g/mol
LogP0.43
Rot. Bonds3

About (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate

(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate (PubChem CID 156562908) has the molecular formula C7H10INO5 and a molecular weight of 315.06 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
PubChem CID156562908
Molecular FormulaC7H10INO5
Molecular Weight315.06 g/mol
Exact Mass314.96
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
SMILESO=C(OCCI)ON1C(=O)CCC1O
InChIInChI=1S/C7H10INO5/c8-3-4-13-7(12)14-9-5(10)1-2-6(9)11/h5,10H,1-4H2
InChIKeyQJEJLMVVKPHYGX-UHFFFAOYSA-N
XLogP0.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 155350859
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate
CID 153133144
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate
CID 178016929
2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate
CID 143261776
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
CID 129151276
(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate
CID 126576248
(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
CID 146560988

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate (CID 156562908) is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate is O=C(OCCI)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate?
The InChIKey is QJEJLMVVKPHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO5/c8-3-4-13-7(12)14-9-5(10)1-2-6(9)11/h5,10H,1-4H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate has a molecular weight of 315.06 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate is sourced from PubChem (CID 156562908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).