3-(methylamino)-1H-pyrrole-2,5-diol

C5H8N2O2 — CID 91398721

IUPAC3-(methylamino)-1H-pyrrole-2,5-diol
SMILESCNc1cc(O)[nH]c1O
InChIInChI=1S/C5H8N2O2/c1-6-3-2-4(8)7-5(3)9/h2,6-9H,1H3
InChIKeyXUFMZTRCMXFKFK-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.47
Rot. Bonds1

About 3-(methylamino)-1H-pyrrole-2,5-diol

3-(methylamino)-1H-pyrrole-2,5-diol (PubChem CID 91398721) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-(methylamino)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(methylamino)-1H-pyrrole-2,5-diol
PubChem CID91398721
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-(methylamino)-1H-pyrrole-2,5-diol
SMILESCNc1cc(O)[nH]c1O
InChIInChI=1S/C5H8N2O2/c1-6-3-2-4(8)7-5(3)9/h2,6-9H,1H3
InChIKeyXUFMZTRCMXFKFK-UHFFFAOYSA-N
XLogP0.47
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1H-pyrrole-2,5-diol
CID 53947578
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
CID 54353036
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
CID 91065552
3-[(2,5-Dihydroxy-1-methylpyrrol-3-yl)amino]-1-methylpyrrole-2,5-diol
CID 53679535
3-Amino-1-methylpyrrole-2,5-diol
CID 53798084
1-Nonyl-3-(nonylamino)pyrrole-2,5-diol
CID 53881041
1-Decyl-3-(decylamino)pyrrole-2,5-diol
CID 53995147
3-(Heptylamino)-1-nonylpyrrole-2,5-diol
CID 54020850
3-[2-(Diethylamino)ethylamino]-1-nonylpyrrole-2,5-diol
CID 54114677
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 54206817
tert-butyl N-(2,5-dihydroxy-1H-pyrrol-3-yl)carbamate
CID 54318666
3-nitro-1H-pyrrole-2,5-diol
CID 54364767

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(methylamino)-1H-pyrrole-2,5-diol (CID 91398721) is 3-(methylamino)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(methylamino)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(methylamino)-1H-pyrrole-2,5-diol is CNc1cc(O)[nH]c1O.
What is the InChIKey of 3-(methylamino)-1H-pyrrole-2,5-diol?
The InChIKey is XUFMZTRCMXFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-6-3-2-4(8)7-5(3)9/h2,6-9H,1H3.
What are the key properties of 3-(methylamino)-1H-pyrrole-2,5-diol?
3-(methylamino)-1H-pyrrole-2,5-diol has a molecular weight of 128.13 g/mol, XLogP of 0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91398721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).