4-amino-1-benzylpyrrol-3-ol

C11H12N2O — CID 135156619

IUPAC4-amino-1-benzylpyrrol-3-ol
SMILESNc1cn(Cc2ccccc2)cc1O
InChIInChI=1S/C11H12N2O/c12-10-7-13(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6,12H2
InChIKeyYPEUQVDXTLJXAT-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds2

About 4-amino-1-benzylpyrrol-3-ol

4-amino-1-benzylpyrrol-3-ol (PubChem CID 135156619) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-1-benzylpyrrol-3-ol.

Molecular Properties

Compound Name4-amino-1-benzylpyrrol-3-ol
PubChem CID135156619
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-amino-1-benzylpyrrol-3-ol
SMILESNc1cn(Cc2ccccc2)cc1O
InChIInChI=1S/C11H12N2O/c12-10-7-13(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6,12H2
InChIKeyYPEUQVDXTLJXAT-UHFFFAOYSA-N
XLogP1.82
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzylpyrrol-3-ol?
The IUPAC name of 4-amino-1-benzylpyrrol-3-ol (CID 135156619) is 4-amino-1-benzylpyrrol-3-ol.
What is the SMILES notation for 4-amino-1-benzylpyrrol-3-ol?
The canonical SMILES for 4-amino-1-benzylpyrrol-3-ol is Nc1cn(Cc2ccccc2)cc1O.
What is the InChIKey of 4-amino-1-benzylpyrrol-3-ol?
The InChIKey is YPEUQVDXTLJXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-10-7-13(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6,12H2.
What are the key properties of 4-amino-1-benzylpyrrol-3-ol?
4-amino-1-benzylpyrrol-3-ol has a molecular weight of 188.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzylpyrrol-3-ol is sourced from PubChem (CID 135156619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).