bis(2,5-dihydroxypyrrol-1-yl)methanone

C9H8N2O5 — CID 54196158

IUPACbis(2,5-dihydroxypyrrol-1-yl)methanone
SMILESO=C(n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C9H8N2O5/c12-5-1-2-6(13)10(5)9(16)11-7(14)3-4-8(11)15/h1-4,12-15H
InChIKeyPLYKJVJOBNKFOJ-UHFFFAOYSA-N
MW224.17 g/mol
LogP0.63
Rot. Bonds

About bis(2,5-dihydroxypyrrol-1-yl)methanone

bis(2,5-dihydroxypyrrol-1-yl)methanone (PubChem CID 54196158) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is bis(2,5-dihydroxypyrrol-1-yl)methanone.

Molecular Properties

Compound Namebis(2,5-dihydroxypyrrol-1-yl)methanone
PubChem CID54196158
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Namebis(2,5-dihydroxypyrrol-1-yl)methanone
SMILESO=C(n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C9H8N2O5/c12-5-1-2-6(13)10(5)9(16)11-7(14)3-4-8(11)15/h1-4,12-15H
InChIKeyPLYKJVJOBNKFOJ-UHFFFAOYSA-N
XLogP0.63
TPSA107.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
1-(2,5-Dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
CID 54463532
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
3,3-Bis(2,5-dihydroxypyrrol-1-yl)-2,3-bis(sulfanyl)propanoic acid
CID 57003836
1-(2,5-Dihydroxypyrrol-1-yl)sulfinylpyrrole-2,5-diol
CID 123849807
1-[(2,5-Dihydroxypyrrol-1-yl)-methylamino]pyrrole-2,5-diol
CID 53647765
2,5-Dihydroxypyrrole-1-carboxamide
CID 53694232
1-[6-(2,5-Dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
CID 53695294
1-[2-(2,5-Dihydroxypyrrol-1-yl)propyl]pyrrole-2,5-diol
CID 53749006
2,2-Bis(2,5-dihydroxypyrrol-1-yl)pentanedial
CID 53755775

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dihydroxypyrrol-1-yl)methanone?
The IUPAC name of bis(2,5-dihydroxypyrrol-1-yl)methanone (CID 54196158) is bis(2,5-dihydroxypyrrol-1-yl)methanone.
What is the SMILES notation for bis(2,5-dihydroxypyrrol-1-yl)methanone?
The canonical SMILES for bis(2,5-dihydroxypyrrol-1-yl)methanone is O=C(n1c(O)ccc1O)n1c(O)ccc1O.
What is the InChIKey of bis(2,5-dihydroxypyrrol-1-yl)methanone?
The InChIKey is PLYKJVJOBNKFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5/c12-5-1-2-6(13)10(5)9(16)11-7(14)3-4-8(11)15/h1-4,12-15H.
What are the key properties of bis(2,5-dihydroxypyrrol-1-yl)methanone?
bis(2,5-dihydroxypyrrol-1-yl)methanone has a molecular weight of 224.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dihydroxypyrrol-1-yl)methanone is sourced from PubChem (CID 54196158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).