3-(pyrrol-1-ylamino)phenol

C10H10N2O — CID 13016214

IUPAC3-(pyrrol-1-ylamino)phenol
SMILESOc1cccc(Nn2cccc2)c1
InChIInChI=1S/C10H10N2O/c13-10-5-3-4-9(8-10)11-12-6-1-2-7-12/h1-8,11,13H
InChIKeyRHDPXJYWOWFLJU-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.07
Rot. Bonds2

About 3-(pyrrol-1-ylamino)phenol

3-(pyrrol-1-ylamino)phenol (PubChem CID 13016214) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(pyrrol-1-ylamino)phenol.

Molecular Properties

Compound Name3-(pyrrol-1-ylamino)phenol
PubChem CID13016214
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(pyrrol-1-ylamino)phenol
SMILESOc1cccc(Nn2cccc2)c1
InChIInChI=1S/C10H10N2O/c13-10-5-3-4-9(8-10)11-12-6-1-2-7-12/h1-8,11,13H
InChIKeyRHDPXJYWOWFLJU-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

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrol-1-ylamino)phenol?
The IUPAC name of 3-(pyrrol-1-ylamino)phenol (CID 13016214) is 3-(pyrrol-1-ylamino)phenol.
What is the SMILES notation for 3-(pyrrol-1-ylamino)phenol?
The canonical SMILES for 3-(pyrrol-1-ylamino)phenol is Oc1cccc(Nn2cccc2)c1.
What is the InChIKey of 3-(pyrrol-1-ylamino)phenol?
The InChIKey is RHDPXJYWOWFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-5-3-4-9(8-10)11-12-6-1-2-7-12/h1-8,11,13H.
What are the key properties of 3-(pyrrol-1-ylamino)phenol?
3-(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 3-(pyrrol-1-ylamino)phenol is sourced from PubChem (CID 13016214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).