bis(2,5-dihydroxypyrrol-1-yl)carbamic acid

C9H9N3O6 — CID 90844437

IUPACbis(2,5-dihydroxypyrrol-1-yl)carbamic acid
SMILESO=C(O)N(n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C9H9N3O6/c13-5-1-2-6(14)10(5)12(9(17)18)11-7(15)3-4-8(11)16/h1-4,13-16H,(H,17,18)
InChIKeyFQFNDQBKALHICW-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.19
Rot. Bonds2

About bis(2,5-dihydroxypyrrol-1-yl)carbamic acid

bis(2,5-dihydroxypyrrol-1-yl)carbamic acid (PubChem CID 90844437) has the molecular formula C9H9N3O6 and a molecular weight of 255.19 g/mol. Its IUPAC name is bis(2,5-dihydroxypyrrol-1-yl)carbamic acid.

Molecular Properties

Compound Namebis(2,5-dihydroxypyrrol-1-yl)carbamic acid
PubChem CID90844437
Molecular FormulaC9H9N3O6
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Namebis(2,5-dihydroxypyrrol-1-yl)carbamic acid
SMILESO=C(O)N(n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C9H9N3O6/c13-5-1-2-6(14)10(5)12(9(17)18)11-7(15)3-4-8(11)16/h1-4,13-16H,(H,17,18)
InChIKeyFQFNDQBKALHICW-UHFFFAOYSA-N
XLogP0.19
TPSA131.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
1-(2,5-Dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
CID 54463532
1-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 57001223
(2,5-Dihydroxypyrrol-1-yl)-methylcarbamic acid
CID 57312252
1-Nitrosopyrrole-2,5-diol
CID 136025201
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-Dihydroxypyrrol-1-yl)urea
CID 53665703
1-[2-(2,5-Dihydroxypyrrol-1-yl)ethyl]pyrrole-2,5-diol
CID 53839389
N',N'-bis(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 53857863

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dihydroxypyrrol-1-yl)carbamic acid?
The IUPAC name of bis(2,5-dihydroxypyrrol-1-yl)carbamic acid (CID 90844437) is bis(2,5-dihydroxypyrrol-1-yl)carbamic acid.
What is the SMILES notation for bis(2,5-dihydroxypyrrol-1-yl)carbamic acid?
The canonical SMILES for bis(2,5-dihydroxypyrrol-1-yl)carbamic acid is O=C(O)N(n1c(O)ccc1O)n1c(O)ccc1O.
What is the InChIKey of bis(2,5-dihydroxypyrrol-1-yl)carbamic acid?
The InChIKey is FQFNDQBKALHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O6/c13-5-1-2-6(14)10(5)12(9(17)18)11-7(15)3-4-8(11)16/h1-4,13-16H,(H,17,18).
What are the key properties of bis(2,5-dihydroxypyrrol-1-yl)carbamic acid?
bis(2,5-dihydroxypyrrol-1-yl)carbamic acid has a molecular weight of 255.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dihydroxypyrrol-1-yl)carbamic acid is sourced from PubChem (CID 90844437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).