2-anilinoethenol

C8H9NO — CID 154058037

IUPAC2-anilinoethenol
SMILESOC=CNc1ccccc1
InChIInChI=1S/C8H9NO/c10-7-6-9-8-4-2-1-3-5-8/h1-7,9-10H
InChIKeyUKQMVMRFXDAFJQ-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.13
Rot. Bonds2

About 2-anilinoethenol

2-anilinoethenol (PubChem CID 154058037) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-anilinoethenol.

Molecular Properties

Compound Name2-anilinoethenol
PubChem CID154058037
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-anilinoethenol
SMILESOC=CNc1ccccc1
InChIInChI=1S/C8H9NO/c10-7-6-9-8-4-2-1-3-5-8/h1-7,9-10H
InChIKeyUKQMVMRFXDAFJQ-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilinoethenol?
The IUPAC name of 2-anilinoethenol (CID 154058037) is 2-anilinoethenol.
What is the SMILES notation for 2-anilinoethenol?
The canonical SMILES for 2-anilinoethenol is OC=CNc1ccccc1.
What is the InChIKey of 2-anilinoethenol?
The InChIKey is UKQMVMRFXDAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-6-9-8-4-2-1-3-5-8/h1-7,9-10H.
What are the key properties of 2-anilinoethenol?
2-anilinoethenol has a molecular weight of 135.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethenol is sourced from PubChem (CID 154058037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).