4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide

C15H14N2O3 — CID 175302476

IUPAC4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C15H14N2O3/c16-15(17-20)12-6-3-10(4-7-12)1-2-11-5-8-13(18)14(19)9-11/h1-9,18-20H,(H2,16,17)/b2-1+
InChIKeyAOBLBOTVDMXOTO-OWOJBTEDSA-N
MW270.29 g/mol
LogP2.36
Rot. Bonds3

About 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide

4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 175302476) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
PubChem CID175302476
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C15H14N2O3/c16-15(17-20)12-6-3-10(4-7-12)1-2-11-5-8-13(18)14(19)9-11/h1-9,18-20H,(H2,16,17)/b2-1+
InChIKeyAOBLBOTVDMXOTO-OWOJBTEDSA-N
XLogP2.36
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide 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

4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
4-[2-[4-[[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzene-1,2-diol
CID 136610654
4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide
CID 170487280
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
CID 19933281

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide (CID 175302476) is 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1.
What is the InChIKey of 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is AOBLBOTVDMXOTO-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-15(17-20)12-6-3-10(4-7-12)1-2-11-5-8-13(18)14(19)9-11/h1-9,18-20H,(H2,16,17)/b2-1+.
What are the key properties of 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide?
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 270.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 175302476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).