1-amino-2-phenylethene-1,2-diol;hydron

C8H10NO2+ — CID 131854255

IUPAC1-amino-2-phenylethene-1,2-diol;hydron
SMILESNC(O)=C(O)c1ccccc1.[H+]
InChIInChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,10-11H,9H2/p+1
InChIKeyABIFEULUKBOKQJ-UHFFFAOYSA-O
MW152.17 g/mol
LogP1.50
Rot. Bonds1

About 1-amino-2-phenylethene-1,2-diol;hydron

1-amino-2-phenylethene-1,2-diol;hydron (PubChem CID 131854255) has the molecular formula C8H10NO2+ and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-amino-2-phenylethene-1,2-diol;hydron.

Molecular Properties

Compound Name1-amino-2-phenylethene-1,2-diol;hydron
PubChem CID131854255
Molecular FormulaC8H10NO2+
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name1-amino-2-phenylethene-1,2-diol;hydron
SMILESNC(O)=C(O)c1ccccc1.[H+]
InChIInChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,10-11H,9H2/p+1
InChIKeyABIFEULUKBOKQJ-UHFFFAOYSA-O
XLogP1.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-phenylethene-1,2-diol;hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
CID 12505640
CID 12505640
benzamide;ethene
CID 143479548
3-amino-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
CID 173202290
dipotassium;benzamide;carbonate
CID 159256468
benzamide;dimethyltin
CID 174591280
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
CID 131346173
benzamide;trifluoroborane
CID 158302663
3-hydroxy-2-(hydroxymethyl)-3-phenylprop-2-enamide
CID 67614624
acetyl chloride;benzamide
CID 160666659

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenylethene-1,2-diol;hydron?
The IUPAC name of 1-amino-2-phenylethene-1,2-diol;hydron (CID 131854255) is 1-amino-2-phenylethene-1,2-diol;hydron.
What is the SMILES notation for 1-amino-2-phenylethene-1,2-diol;hydron?
The canonical SMILES for 1-amino-2-phenylethene-1,2-diol;hydron is NC(O)=C(O)c1ccccc1.[H+].
What is the InChIKey of 1-amino-2-phenylethene-1,2-diol;hydron?
The InChIKey is ABIFEULUKBOKQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,10-11H,9H2/p+1.
What are the key properties of 1-amino-2-phenylethene-1,2-diol;hydron?
1-amino-2-phenylethene-1,2-diol;hydron has a molecular weight of 152.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenylethene-1,2-diol;hydron is sourced from PubChem (CID 131854255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).