2-(pyrrol-1-ylamino)phenol

C10H10N2O — CID 13016215

IUPAC2-(pyrrol-1-ylamino)phenol
SMILESOc1ccccc1Nn1cccc1
InChIInChI=1S/C10H10N2O/c13-10-6-2-1-5-9(10)11-12-7-3-4-8-12/h1-8,11,13H
InChIKeyFCOOKTYMYZQRKJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.07
Rot. Bonds2

About 2-(pyrrol-1-ylamino)phenol

2-(pyrrol-1-ylamino)phenol (PubChem CID 13016215) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(pyrrol-1-ylamino)phenol.

Molecular Properties

Compound Name2-(pyrrol-1-ylamino)phenol
PubChem CID13016215
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(pyrrol-1-ylamino)phenol
SMILESOc1ccccc1Nn1cccc1
InChIInChI=1S/C10H10N2O/c13-10-6-2-1-5-9(10)11-12-7-3-4-8-12/h1-8,11,13H
InChIKeyFCOOKTYMYZQRKJ-UHFFFAOYSA-N
XLogP2.07
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylamino)phenol?
The IUPAC name of 2-(pyrrol-1-ylamino)phenol (CID 13016215) is 2-(pyrrol-1-ylamino)phenol.
What is the SMILES notation for 2-(pyrrol-1-ylamino)phenol?
The canonical SMILES for 2-(pyrrol-1-ylamino)phenol is Oc1ccccc1Nn1cccc1.
What is the InChIKey of 2-(pyrrol-1-ylamino)phenol?
The InChIKey is FCOOKTYMYZQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-6-2-1-5-9(10)11-12-7-3-4-8-12/h1-8,11,13H.
What are the key properties of 2-(pyrrol-1-ylamino)phenol?
2-(pyrrol-1-ylamino)phenol has a molecular weight of 174.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylamino)phenol is sourced from PubChem (CID 13016215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).