2-(2-amino-1-methylpyrrol-3-yl)phenol

C11H12N2O — CID 117222563

IUPAC2-(2-amino-1-methylpyrrol-3-yl)phenol
SMILESCn1ccc(-c2ccccc2O)c1N
InChIInChI=1S/C11H12N2O/c1-13-7-6-9(11(13)12)8-4-2-3-5-10(8)14/h2-7,14H,12H2,1H3
InChIKeyRWZDHIIAFONHME-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.98
Rot. Bonds1

About 2-(2-amino-1-methylpyrrol-3-yl)phenol

2-(2-amino-1-methylpyrrol-3-yl)phenol (PubChem CID 117222563) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-amino-1-methylpyrrol-3-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-methylpyrrol-3-yl)phenol
PubChem CID117222563
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(2-amino-1-methylpyrrol-3-yl)phenol
SMILESCn1ccc(-c2ccccc2O)c1N
InChIInChI=1S/C11H12N2O/c1-13-7-6-9(11(13)12)8-4-2-3-5-10(8)14/h2-7,14H,12H2,1H3
InChIKeyRWZDHIIAFONHME-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-methylpyrrol-3-yl)phenol?
The IUPAC name of 2-(2-amino-1-methylpyrrol-3-yl)phenol (CID 117222563) is 2-(2-amino-1-methylpyrrol-3-yl)phenol.
What is the SMILES notation for 2-(2-amino-1-methylpyrrol-3-yl)phenol?
The canonical SMILES for 2-(2-amino-1-methylpyrrol-3-yl)phenol is Cn1ccc(-c2ccccc2O)c1N.
What is the InChIKey of 2-(2-amino-1-methylpyrrol-3-yl)phenol?
The InChIKey is RWZDHIIAFONHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-7-6-9(11(13)12)8-4-2-3-5-10(8)14/h2-7,14H,12H2,1H3.
What are the key properties of 2-(2-amino-1-methylpyrrol-3-yl)phenol?
2-(2-amino-1-methylpyrrol-3-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 2-(2-amino-1-methylpyrrol-3-yl)phenol is sourced from PubChem (CID 117222563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).