(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate

C7H7NO5 — CID 54445744

IUPAC(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate
SMILESC=COC(=O)On1c(O)ccc1O
InChIInChI=1S/C7H7NO5/c1-2-12-7(11)13-8-5(9)3-4-6(8)10/h2-4,9-10H,1H2
InChIKeyWRJKFKYTERZJQK-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.61
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate

(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate (PubChem CID 54445744) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate
PubChem CID54445744
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate
SMILESC=COC(=O)On1c(O)ccc1O
InChIInChI=1S/C7H7NO5/c1-2-12-7(11)13-8-5(9)3-4-6(8)10/h2-4,9-10H,1H2
InChIKeyWRJKFKYTERZJQK-UHFFFAOYSA-N
XLogP0.61
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate (CID 54445744) is (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate is C=COC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate?
The InChIKey is WRJKFKYTERZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c1-2-12-7(11)13-8-5(9)3-4-6(8)10/h2-4,9-10H,1H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate?
(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate has a molecular weight of 185.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) ethenyl carbonate is sourced from PubChem (CID 54445744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).