2-(1H-pyrrol-2-ylmethylideneamino)phenol

C11H10N2O — CID 658315

IUPAC2-(1H-pyrrol-2-ylmethylideneamino)phenol
SMILESOc1ccccc1/N=C/c1ccc[nH]1
InChIInChI=1S/C11H10N2O/c14-11-6-2-1-5-10(11)13-8-9-4-3-7-12-9/h1-8,12,14H/b13-8+
InChIKeyYJSKEQJZATYELD-MDWZMJQESA-N
MW186.21 g/mol
LogP2.47
Rot. Bonds2

About 2-(1H-pyrrol-2-ylmethylideneamino)phenol

2-(1H-pyrrol-2-ylmethylideneamino)phenol (PubChem CID 658315) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name2-(1H-pyrrol-2-ylmethylideneamino)phenol
PubChem CID658315
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1H-pyrrol-2-ylmethylideneamino)phenol
SMILESOc1ccccc1/N=C/c1ccc[nH]1
InChIInChI=1S/C11H10N2O/c14-11-6-2-1-5-10(11)13-8-9-4-3-7-12-9/h1-8,12,14H/b13-8+
InChIKeyYJSKEQJZATYELD-MDWZMJQESA-N
XLogP2.47
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-ylmethylideneamino)phenol?
The IUPAC name of 2-(1H-pyrrol-2-ylmethylideneamino)phenol (CID 658315) is 2-(1H-pyrrol-2-ylmethylideneamino)phenol.
What is the SMILES notation for 2-(1H-pyrrol-2-ylmethylideneamino)phenol?
The canonical SMILES for 2-(1H-pyrrol-2-ylmethylideneamino)phenol is Oc1ccccc1/N=C/c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-ylmethylideneamino)phenol?
The InChIKey is YJSKEQJZATYELD-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-6-2-1-5-10(11)13-8-9-4-3-7-12-9/h1-8,12,14H/b13-8+.
What are the key properties of 2-(1H-pyrrol-2-ylmethylideneamino)phenol?
2-(1H-pyrrol-2-ylmethylideneamino)phenol has a molecular weight of 186.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-ylmethylideneamino)phenol is sourced from PubChem (CID 658315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).