1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol

C12H19NO2 — CID 90956359

IUPAC1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(C2CCCCC2)c1O
InChIInChI=1S/C12H19NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h10,14-15H,3-7H2,1-2H3
InChIKeyZXEVHKNRGWKEEV-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.02
Rot. Bonds1

About 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol

1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol (PubChem CID 90956359) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol
PubChem CID90956359
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(C2CCCCC2)c1O
InChIInChI=1S/C12H19NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h10,14-15H,3-7H2,1-2H3
InChIKeyZXEVHKNRGWKEEV-UHFFFAOYSA-N
XLogP3.02
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
CID 90855816
3,4-Dimethyl-1-propan-2-ylpyrrol-2-ol
CID 134891005
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610
3-Methyl-1-octylpyrrole-2,5-diol
CID 53873295
1-Cyclohexylpyrrole-2,5-diol
CID 53921835
3-Octan-2-yl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 53991419
3-Heptyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54181825
1-(Hydroxymethyl)-3,4-dimethylpyrrole-2,5-diol
CID 54194747
3-Methyl-1-nonylpyrrole-2,5-diol
CID 54259677
1,3,4-Trimethylpyrrole-2,5-diol
CID 54321733
3,4-Dimethyl-1-propan-2-ylpyrrole-2,5-diol
CID 90692852
1-(3,3-Dimethylbutyl)-3,4-dimethylpyrrole-2,5-diol
CID 90750204

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol (CID 90956359) is 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol is Cc1c(C)c(O)n(C2CCCCC2)c1O.
What is the InChIKey of 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is ZXEVHKNRGWKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h10,14-15H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol?
1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 209.29 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 90956359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).