4-(5-amino-1H-pyrrol-3-yl)phenol

C10H10N2O — CID 117223153

IUPAC4-(5-amino-1H-pyrrol-3-yl)phenol
SMILESNc1cc(-c2ccc(O)cc2)c[nH]1
InChIInChI=1S/C10H10N2O/c11-10-5-8(6-12-10)7-1-3-9(13)4-2-7/h1-6,12-13H,11H2
InChIKeyNRFNOGNETDDLPY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.97
Rot. Bonds1

About 4-(5-amino-1H-pyrrol-3-yl)phenol

4-(5-amino-1H-pyrrol-3-yl)phenol (PubChem CID 117223153) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrrol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrrol-3-yl)phenol
PubChem CID117223153
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(5-amino-1H-pyrrol-3-yl)phenol
SMILESNc1cc(-c2ccc(O)cc2)c[nH]1
InChIInChI=1S/C10H10N2O/c11-10-5-8(6-12-10)7-1-3-9(13)4-2-7/h1-6,12-13H,11H2
InChIKeyNRFNOGNETDDLPY-UHFFFAOYSA-N
XLogP1.97
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrrol-3-yl)phenol?
The IUPAC name of 4-(5-amino-1H-pyrrol-3-yl)phenol (CID 117223153) is 4-(5-amino-1H-pyrrol-3-yl)phenol.
What is the SMILES notation for 4-(5-amino-1H-pyrrol-3-yl)phenol?
The canonical SMILES for 4-(5-amino-1H-pyrrol-3-yl)phenol is Nc1cc(-c2ccc(O)cc2)c[nH]1.
What is the InChIKey of 4-(5-amino-1H-pyrrol-3-yl)phenol?
The InChIKey is NRFNOGNETDDLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10-5-8(6-12-10)7-1-3-9(13)4-2-7/h1-6,12-13H,11H2.
What are the key properties of 4-(5-amino-1H-pyrrol-3-yl)phenol?
4-(5-amino-1H-pyrrol-3-yl)phenol has a molecular weight of 174.20 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrrol-3-yl)phenol is sourced from PubChem (CID 117223153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).