3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol

C15H20N2O2 — CID 54082930

IUPAC3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol
SMILESCCCCCn1c(O)cc(-c2ccc(N)cc2)c1O
InChIInChI=1S/C15H20N2O2/c1-2-3-4-9-17-14(18)10-13(15(17)19)11-5-7-12(16)8-6-11/h5-8,10,18-19H,2-4,9,16H2,1H3
InChIKeyMOJUYTAOLOEPGM-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.34
Rot. Bonds5

About 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol

3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol (PubChem CID 54082930) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol
PubChem CID54082930
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol
SMILESCCCCCn1c(O)cc(-c2ccc(N)cc2)c1O
InChIInChI=1S/C15H20N2O2/c1-2-3-4-9-17-14(18)10-13(15(17)19)11-5-7-12(16)8-6-11/h5-8,10,18-19H,2-4,9,16H2,1H3
InChIKeyMOJUYTAOLOEPGM-UHFFFAOYSA-N
XLogP3.34
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol?
The IUPAC name of 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol (CID 54082930) is 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol.
What is the SMILES notation for 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol?
The canonical SMILES for 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol is CCCCCn1c(O)cc(-c2ccc(N)cc2)c1O.
What is the InChIKey of 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol?
The InChIKey is MOJUYTAOLOEPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-9-17-14(18)10-13(15(17)19)11-5-7-12(16)8-6-11/h5-8,10,18-19H,2-4,9,16H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol?
3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol has a molecular weight of 260.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-pentylpyrrole-2,5-diol is sourced from PubChem (CID 54082930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).