2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol

C11H11NO — CID 90794099

IUPAC2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol
SMILES[2H]c1ccc(Cc2[nH]ccc2O)cc1
InChIInChI=1S/C11H11NO/c13-11-6-7-12-10(11)8-9-4-2-1-3-5-9/h1-7,12-13H,8H2/i1D
InChIKeySCCPLVSMBMHPNA-MICDWDOJSA-N
MW174.22 g/mol
LogP2.31
Rot. Bonds2

About 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol

2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol (PubChem CID 90794099) has the molecular formula C11H11NO and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol.

Molecular Properties

Compound Name2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol
PubChem CID90794099
Molecular FormulaC11H11NO
Molecular Weight174.22 g/mol
Exact Mass174.09
IUPAC Name2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol
SMILES[2H]c1ccc(Cc2[nH]ccc2O)cc1
InChIInChI=1S/C11H11NO/c13-11-6-7-12-10(11)8-9-4-2-1-3-5-9/h1-7,12-13H,8H2/i1D
InChIKeySCCPLVSMBMHPNA-MICDWDOJSA-N
XLogP2.31
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol 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 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol?
The IUPAC name of 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol (CID 90794099) is 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol.
What is the SMILES notation for 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol?
The canonical SMILES for 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol is [2H]c1ccc(Cc2[nH]ccc2O)cc1.
What is the InChIKey of 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol?
The InChIKey is SCCPLVSMBMHPNA-MICDWDOJSA-N. The full InChI is InChI=1S/C11H11NO/c13-11-6-7-12-10(11)8-9-4-2-1-3-5-9/h1-7,12-13H,8H2/i1D.
What are the key properties of 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol?
2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol has a molecular weight of 174.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-deuteriophenyl)methyl]-1H-pyrrol-3-ol is sourced from PubChem (CID 90794099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).