1-anilino-3-phenylpyrrole-2,5-diol

C16H14N2O2 — CID 91467473

IUPAC1-anilino-3-phenylpyrrole-2,5-diol
SMILESOc1cc(-c2ccccc2)c(O)n1Nc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17,19-20H
InChIKeySSAAMEAWBPVASV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.44
Rot. Bonds3

About 1-anilino-3-phenylpyrrole-2,5-diol

1-anilino-3-phenylpyrrole-2,5-diol (PubChem CID 91467473) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-anilino-3-phenylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-anilino-3-phenylpyrrole-2,5-diol
PubChem CID91467473
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-anilino-3-phenylpyrrole-2,5-diol
SMILESOc1cc(-c2ccccc2)c(O)n1Nc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17,19-20H
InChIKeySSAAMEAWBPVASV-UHFFFAOYSA-N
XLogP3.44
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-phenylpyrrole-2,5-diol?
The IUPAC name of 1-anilino-3-phenylpyrrole-2,5-diol (CID 91467473) is 1-anilino-3-phenylpyrrole-2,5-diol.
What is the SMILES notation for 1-anilino-3-phenylpyrrole-2,5-diol?
The canonical SMILES for 1-anilino-3-phenylpyrrole-2,5-diol is Oc1cc(-c2ccccc2)c(O)n1Nc1ccccc1.
What is the InChIKey of 1-anilino-3-phenylpyrrole-2,5-diol?
The InChIKey is SSAAMEAWBPVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17,19-20H.
What are the key properties of 1-anilino-3-phenylpyrrole-2,5-diol?
1-anilino-3-phenylpyrrole-2,5-diol has a molecular weight of 266.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-phenylpyrrole-2,5-diol is sourced from PubChem (CID 91467473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).