5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol

C12H12N2O — CID 781182

IUPAC5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol
SMILESCc1ccc(/N=C/c2ccc[nH]2)c(O)c1
InChIInChI=1S/C12H12N2O/c1-9-4-5-11(12(15)7-9)14-8-10-3-2-6-13-10/h2-8,13,15H,1H3/b14-8+
InChIKeyFHXINBDOKQAZCX-RIYZIHGNSA-N
MW200.24 g/mol
LogP2.78
Rot. Bonds2

About 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol

5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol (PubChem CID 781182) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol
PubChem CID781182
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol
SMILESCc1ccc(/N=C/c2ccc[nH]2)c(O)c1
InChIInChI=1S/C12H12N2O/c1-9-4-5-11(12(15)7-9)14-8-10-3-2-6-13-10/h2-8,13,15H,1H3/b14-8+
InChIKeyFHXINBDOKQAZCX-RIYZIHGNSA-N
XLogP2.78
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Serotonin
CID 5202
N-Methylserotonin
CID 150885
Alpha-Methylserotonin
CID 2107
Npc327132
CID 4048638
[3H]5-HT
CID 53317992
7-Hydroxyindole
CID 2737651
3-(1-aminopropan-2-yl)-1H-indol-5-ol
CID 115292
Phenol, 2-[(E)-(1H-pyrrol-2-ylmethylene)amino]-
CID 658315
3-[(2R)-2-aminopropyl]-1H-indol-5-ol
CID 14083218
5-[(E)-2-[6-[(E)-2-[3-hydroxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol
CID 24785417
3-[(2S)-2-aminopropyl]-1H-indol-5-ol
CID 6603907
2-(1H-pyrrol-2-yl)phenol
CID 13725072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol?
The IUPAC name of 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol (CID 781182) is 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol.
What is the SMILES notation for 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol?
The canonical SMILES for 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol is Cc1ccc(/N=C/c2ccc[nH]2)c(O)c1.
What is the InChIKey of 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol?
The InChIKey is FHXINBDOKQAZCX-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-5-11(12(15)7-9)14-8-10-3-2-6-13-10/h2-8,13,15H,1H3/b14-8+.
What are the key properties of 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol?
5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol has a molecular weight of 200.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1H-pyrrol-2-ylmethylideneamino)phenol is sourced from PubChem (CID 781182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).