4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide

C10H12N2O — CID 142087834

IUPAC4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/C)c1
InChIInChI=1S/C10H12N2O/c1-2-3-7-6-8(10(11)12)4-5-9(7)13/h2-6,13H,1H3,(H3,11,12)/b3-2+
InChIKeyAZYUEGYLCDGFFD-NSCUHMNNSA-N
MW176.22 g/mol
LogP1.71
Rot. Bonds2

About 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide

4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide (PubChem CID 142087834) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
PubChem CID142087834
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/C)c1
InChIInChI=1S/C10H12N2O/c1-2-3-7-6-8(10(11)12)4-5-9(7)13/h2-6,13H,1H3,(H3,11,12)/b3-2+
InChIKeyAZYUEGYLCDGFFD-NSCUHMNNSA-N
XLogP1.71
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide 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-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
CID 135923501
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
CID 24846159
3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
CID 24846143
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
CID 143165725
3-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide
CID 139942269
7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide
CID 20814090
4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide
CID 139942265
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 67850507

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide?
The IUPAC name of 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide (CID 142087834) is 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(O)c(/C=C/C)c1.
What is the InChIKey of 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide?
The InChIKey is AZYUEGYLCDGFFD-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-3-7-6-8(10(11)12)4-5-9(7)13/h2-6,13H,1H3,(H3,11,12)/b3-2+.
What are the key properties of 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide?
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide has a molecular weight of 176.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 142087834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).