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

C6H10N2O2 — CID 90961945

IUPAC1-methyl-3-(methylamino)pyrrole-2,5-diol
SMILESCNc1cc(O)n(C)c1O
InChIInChI=1S/C6H10N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7,9-10H,1-2H3
InChIKeyIJVFIXFCPANQON-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.48
Rot. Bonds1

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

1-methyl-3-(methylamino)pyrrole-2,5-diol (PubChem CID 90961945) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-methyl-3-(methylamino)pyrrole-2,5-diol
PubChem CID90961945
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-methyl-3-(methylamino)pyrrole-2,5-diol
SMILESCNc1cc(O)n(C)c1O
InChIInChI=1S/C6H10N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7,9-10H,1-2H3
InChIKeyIJVFIXFCPANQON-UHFFFAOYSA-N
XLogP0.48
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
3-(methylamino)-1H-pyrrole-2,5-diol
CID 91398721
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-(2-Aminoethyl)pyrrole-2,5-diol
CID 53867567
1-Nonyl-3-(nonylamino)pyrrole-2,5-diol
CID 53881041
1-Methyl-4-(methylamino)pyrrol-2-ol
CID 53967769
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)pyrrole-2,5-diol?
The IUPAC name of 1-methyl-3-(methylamino)pyrrole-2,5-diol (CID 90961945) is 1-methyl-3-(methylamino)pyrrole-2,5-diol.
What is the SMILES notation for 1-methyl-3-(methylamino)pyrrole-2,5-diol?
The canonical SMILES for 1-methyl-3-(methylamino)pyrrole-2,5-diol is CNc1cc(O)n(C)c1O.
What is the InChIKey of 1-methyl-3-(methylamino)pyrrole-2,5-diol?
The InChIKey is IJVFIXFCPANQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7,9-10H,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)pyrrole-2,5-diol?
1-methyl-3-(methylamino)pyrrole-2,5-diol has a molecular weight of 142.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)pyrrole-2,5-diol is sourced from PubChem (CID 90961945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).