5-phenyl-1H-pyrrol-2-ol

C10H9NO — CID 66988557

IUPAC5-phenyl-1H-pyrrol-2-ol
SMILESOc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H9NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-7,11-12H
InChIKeyGLIRPUCVNRQHSM-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.39
Rot. Bonds1

About 5-phenyl-1H-pyrrol-2-ol

5-phenyl-1H-pyrrol-2-ol (PubChem CID 66988557) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-phenyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-phenyl-1H-pyrrol-2-ol
PubChem CID66988557
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-phenyl-1H-pyrrol-2-ol
SMILESOc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H9NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-7,11-12H
InChIKeyGLIRPUCVNRQHSM-UHFFFAOYSA-N
XLogP2.39
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrrol-2-ol?
The IUPAC name of 5-phenyl-1H-pyrrol-2-ol (CID 66988557) is 5-phenyl-1H-pyrrol-2-ol.
What is the SMILES notation for 5-phenyl-1H-pyrrol-2-ol?
The canonical SMILES for 5-phenyl-1H-pyrrol-2-ol is Oc1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-phenyl-1H-pyrrol-2-ol?
The InChIKey is GLIRPUCVNRQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-7,11-12H.
What are the key properties of 5-phenyl-1H-pyrrol-2-ol?
5-phenyl-1H-pyrrol-2-ol has a molecular weight of 159.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrrol-2-ol is sourced from PubChem (CID 66988557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).