1-amino-3-ethenyl-4-methylpyrrole-2,5-diol

C7H10N2O2 — CID 90982032

IUPAC1-amino-3-ethenyl-4-methylpyrrole-2,5-diol
SMILESC=Cc1c(C)c(O)n(N)c1O
InChIInChI=1S/C7H10N2O2/c1-3-5-4(2)6(10)9(8)7(5)11/h3,10-11H,1,8H2,2H3
InChIKeyKUQVOCPTMBQSEW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.56
Rot. Bonds1

About 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol

1-amino-3-ethenyl-4-methylpyrrole-2,5-diol (PubChem CID 90982032) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-amino-3-ethenyl-4-methylpyrrole-2,5-diol
PubChem CID90982032
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-amino-3-ethenyl-4-methylpyrrole-2,5-diol
SMILESC=Cc1c(C)c(O)n(N)c1O
InChIInChI=1S/C7H10N2O2/c1-3-5-4(2)6(10)9(8)7(5)11/h3,10-11H,1,8H2,2H3
InChIKeyKUQVOCPTMBQSEW-UHFFFAOYSA-N
XLogP0.56
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
CID 91549041
1-Aminopyrrole-2,5-diol
CID 53803811
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610
3,4-Bis(ethenyl)-1-methylpyrrole-2,5-diol
CID 91057267
1-Chloro-3,4-dimethylpyrrole-2,5-diol
CID 91100060
1-Hydroxy-3,4-dimethylpyrrole-2,5-diol
CID 91413463
3,4-bis(ethenyl)-1H-pyrrole-2,5-diol
CID 123594441
1-Amino-3,4-dimethylpyrrole-2,5-diol
CID 124016913

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol?
The IUPAC name of 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol (CID 90982032) is 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol.
What is the SMILES notation for 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol?
The canonical SMILES for 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol is C=Cc1c(C)c(O)n(N)c1O.
What is the InChIKey of 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol?
The InChIKey is KUQVOCPTMBQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5-4(2)6(10)9(8)7(5)11/h3,10-11H,1,8H2,2H3.
What are the key properties of 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol?
1-amino-3-ethenyl-4-methylpyrrole-2,5-diol has a molecular weight of 154.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethenyl-4-methylpyrrole-2,5-diol is sourced from PubChem (CID 90982032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).