3-cyclohexyl-1H-pyrrole-2,5-diol

C10H15NO2 — CID 54165488

IUPAC3-cyclohexyl-1H-pyrrole-2,5-diol
SMILESOc1cc(C2CCCCC2)c(O)[nH]1
InChIInChI=1S/C10H15NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h6-7,11-13H,1-5H2
InChIKeyORIZJPJJIYVMBF-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.47
Rot. Bonds1

About 3-cyclohexyl-1H-pyrrole-2,5-diol

3-cyclohexyl-1H-pyrrole-2,5-diol (PubChem CID 54165488) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-cyclohexyl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-cyclohexyl-1H-pyrrole-2,5-diol
PubChem CID54165488
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-cyclohexyl-1H-pyrrole-2,5-diol
SMILESOc1cc(C2CCCCC2)c(O)[nH]1
InChIInChI=1S/C10H15NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h6-7,11-13H,1-5H2
InChIKeyORIZJPJJIYVMBF-UHFFFAOYSA-N
XLogP2.47
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1H-pyrrole-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-cyclohexyl-1H-pyrrole-2,5-diol (CID 54165488) is 3-cyclohexyl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-cyclohexyl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-cyclohexyl-1H-pyrrole-2,5-diol is Oc1cc(C2CCCCC2)c(O)[nH]1.
What is the InChIKey of 3-cyclohexyl-1H-pyrrole-2,5-diol?
The InChIKey is ORIZJPJJIYVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h6-7,11-13H,1-5H2.
What are the key properties of 3-cyclohexyl-1H-pyrrole-2,5-diol?
3-cyclohexyl-1H-pyrrole-2,5-diol has a molecular weight of 181.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 54165488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).