(2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate

C8H9NO6 — CID 123669677

IUPAC(2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate
SMILESO=C(OC1COC1)On1c(O)ccc1O
InChIInChI=1S/C8H9NO6/c10-6-1-2-7(11)9(6)15-8(12)14-5-3-13-4-5/h1-2,5,10-11H,3-4H2
InChIKeyWRRGGVYCSSXADZ-UHFFFAOYSA-N
MW215.16 g/mol
LogP-0.14
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate

(2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate (PubChem CID 123669677) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate
PubChem CID123669677
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name(2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate
SMILESO=C(OC1COC1)On1c(O)ccc1O
InChIInChI=1S/C8H9NO6/c10-6-1-2-7(11)9(6)15-8(12)14-5-3-13-4-5/h1-2,5,10-11H,3-4H2
InChIKeyWRRGGVYCSSXADZ-UHFFFAOYSA-N
XLogP-0.14
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
CID 54220759
(2,5-dihydroxypyrrol-1-yl) [(1R,2R)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]cyclopropyl] carbonate
CID 123379641
(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate
CID 25129099
oxetan-3-yl N-phenylcarbamate
CID 54313632
oxetan-3-yl 4-amino-2-hydroxybenzoate
CID 102606824
oxetan-3-yl 1H-pyrrole-3-carboxylate
CID 159484970
bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
oxetan-3-yl N-aminocarbamate
CID 67681212
oxetan-3-yl 3-methylthiophene-2-carboxylate
CID 130619272
oxetan-3-yl 4-(2-aminoethyl)benzoate
CID 102606652
oxetan-3-yl pyrazine-2-carboxylate
CID 130693172
oxetan-3-yl 3-amino-4-fluorobenzoate
CID 115669798

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate (CID 123669677) is (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate is O=C(OC1COC1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate?
The InChIKey is WRRGGVYCSSXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO6/c10-6-1-2-7(11)9(6)15-8(12)14-5-3-13-4-5/h1-2,5,10-11H,3-4H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate?
(2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate has a molecular weight of 215.16 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) oxetan-3-yl carbonate is sourced from PubChem (CID 123669677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).