2-amino-2-phenylethenol

C8H9NO — CID 77445916

IUPAC2-amino-2-phenylethenol
SMILESNC(=CO)c1ccccc1
InChIInChI=1S/C8H9NO/c9-8(6-10)7-4-2-1-3-5-7/h1-6,10H,9H2
InChIKeyJNFPMBQDNRNAQK-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.50
Rot. Bonds1

About 2-amino-2-phenylethenol

2-amino-2-phenylethenol (PubChem CID 77445916) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-amino-2-phenylethenol.

Molecular Properties

Compound Name2-amino-2-phenylethenol
PubChem CID77445916
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-amino-2-phenylethenol
SMILESNC(=CO)c1ccccc1
InChIInChI=1S/C8H9NO/c9-8(6-10)7-4-2-1-3-5-7/h1-6,10H,9H2
InChIKeyJNFPMBQDNRNAQK-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.50
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-amino-2-phenylethenol?
The IUPAC name of 2-amino-2-phenylethenol (CID 77445916) is 2-amino-2-phenylethenol.
What is the SMILES notation for 2-amino-2-phenylethenol?
The canonical SMILES for 2-amino-2-phenylethenol is NC(=CO)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylethenol?
The InChIKey is JNFPMBQDNRNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-8(6-10)7-4-2-1-3-5-7/h1-6,10H,9H2.
What are the key properties of 2-amino-2-phenylethenol?
2-amino-2-phenylethenol has a molecular weight of 135.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylethenol is sourced from PubChem (CID 77445916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).