(2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate

C10H13NO6 — CID 54157741

IUPAC(2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate
SMILESO=C(OC1CCOCC1)On1c(O)ccc1O
InChIInChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)17-10(14)16-7-3-5-15-6-4-7/h1-2,7,12-13H,3-6H2
InChIKeyOMGPSBHRXURNLY-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.64
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate

(2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate (PubChem CID 54157741) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate
PubChem CID54157741
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate
SMILESO=C(OC1CCOCC1)On1c(O)ccc1O
InChIInChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)17-10(14)16-7-3-5-15-6-4-7/h1-2,7,12-13H,3-6H2
InChIKeyOMGPSBHRXURNLY-UHFFFAOYSA-N
XLogP0.64
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate (CID 54157741) is (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate is O=C(OC1CCOCC1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate?
The InChIKey is OMGPSBHRXURNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)17-10(14)16-7-3-5-15-6-4-7/h1-2,7,12-13H,3-6H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate?
(2,5-dihydroxypyrrol-1-yl) oxan-4-yl carbonate has a molecular weight of 243.21 g/mol, XLogP of 0.64, 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) oxan-4-yl carbonate is sourced from PubChem (CID 54157741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).