5-methyl-4-phenyl-1H-pyrrol-2-ol

C11H11NO — CID 20512175

IUPAC5-methyl-4-phenyl-1H-pyrrol-2-ol
SMILESCc1[nH]c(O)cc1-c1ccccc1
InChIInChI=1S/C11H11NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-7,12-13H,1H3
InChIKeySOMSHVVNTFRFKQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.70
Rot. Bonds1

About 5-methyl-4-phenyl-1H-pyrrol-2-ol

5-methyl-4-phenyl-1H-pyrrol-2-ol (PubChem CID 20512175) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-methyl-4-phenyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-methyl-4-phenyl-1H-pyrrol-2-ol
PubChem CID20512175
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name5-methyl-4-phenyl-1H-pyrrol-2-ol
SMILESCc1[nH]c(O)cc1-c1ccccc1
InChIInChI=1S/C11H11NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-7,12-13H,1H3
InChIKeySOMSHVVNTFRFKQ-UHFFFAOYSA-N
XLogP2.70
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-1H-pyrrol-2-ol?
The IUPAC name of 5-methyl-4-phenyl-1H-pyrrol-2-ol (CID 20512175) is 5-methyl-4-phenyl-1H-pyrrol-2-ol.
What is the SMILES notation for 5-methyl-4-phenyl-1H-pyrrol-2-ol?
The canonical SMILES for 5-methyl-4-phenyl-1H-pyrrol-2-ol is Cc1[nH]c(O)cc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-1H-pyrrol-2-ol?
The InChIKey is SOMSHVVNTFRFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-7,12-13H,1H3.
What are the key properties of 5-methyl-4-phenyl-1H-pyrrol-2-ol?
5-methyl-4-phenyl-1H-pyrrol-2-ol has a molecular weight of 173.22 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-1H-pyrrol-2-ol is sourced from PubChem (CID 20512175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).