4-amino-2-(1-methylpyrrol-2-yl)phenol

C11H12N2O — CID 18185919

IUPAC4-amino-2-(1-methylpyrrol-2-yl)phenol
SMILESCn1cccc1-c1cc(N)ccc1O
InChIInChI=1S/C11H12N2O/c1-13-6-2-3-10(13)9-7-8(12)4-5-11(9)14/h2-7,14H,12H2,1H3
InChIKeyJRHPDEYJNZUVHU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.98
Rot. Bonds1

About 4-amino-2-(1-methylpyrrol-2-yl)phenol

4-amino-2-(1-methylpyrrol-2-yl)phenol (PubChem CID 18185919) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-2-(1-methylpyrrol-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2-(1-methylpyrrol-2-yl)phenol
PubChem CID18185919
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-amino-2-(1-methylpyrrol-2-yl)phenol
SMILESCn1cccc1-c1cc(N)ccc1O
InChIInChI=1S/C11H12N2O/c1-13-6-2-3-10(13)9-7-8(12)4-5-11(9)14/h2-7,14H,12H2,1H3
InChIKeyJRHPDEYJNZUVHU-UHFFFAOYSA-N
XLogP1.98
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylpyrrol-2-yl)phenol?
The IUPAC name of 4-amino-2-(1-methylpyrrol-2-yl)phenol (CID 18185919) is 4-amino-2-(1-methylpyrrol-2-yl)phenol.
What is the SMILES notation for 4-amino-2-(1-methylpyrrol-2-yl)phenol?
The canonical SMILES for 4-amino-2-(1-methylpyrrol-2-yl)phenol is Cn1cccc1-c1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(1-methylpyrrol-2-yl)phenol?
The InChIKey is JRHPDEYJNZUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-6-2-3-10(13)9-7-8(12)4-5-11(9)14/h2-7,14H,12H2,1H3.
What are the key properties of 4-amino-2-(1-methylpyrrol-2-yl)phenol?
4-amino-2-(1-methylpyrrol-2-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylpyrrol-2-yl)phenol is sourced from PubChem (CID 18185919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).