N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide

C9H12N2O2 — CID 123169234

IUPACN'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
SMILESCC(O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C9H12N2O2/c1-6(12)7-2-4-8(5-3-7)9(10)11-13/h2-6,12-13H,1H3,(H2,10,11)
InChIKeyDSZQQTKCOGBPEM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.83
Rot. Bonds2

About N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide

N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide (PubChem CID 123169234) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
PubChem CID123169234
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
SMILESCC(O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C9H12N2O2/c1-6(12)7-2-4-8(5-3-7)9(10)11-13/h2-6,12-13H,1H3,(H2,10,11)
InChIKeyDSZQQTKCOGBPEM-UHFFFAOYSA-N
XLogP0.83
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-(1-hydroxyethyl)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

N'-hydroxy-4-[1-(methylamino)ethyl]benzenecarboximidamide
CID 135313208
N'-hydroxy-4-(1-methoxyethyl)benzenecarboximidamide
CID 146558582
N'-hydroxy-3-(1-hydroxyethyl)benzenecarboximidamide
CID 87091093
4-(1-hydroxyethyl)benzamide
CID 22716490
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 43125829
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
methyl 2-[1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]ethyl-methylamino]propanoate
CID 88577179
N'-hydroxybenzenecarboximidamide
CID 142861747
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide
CID 141290010

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide (CID 123169234) is N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide is CC(O)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide?
The InChIKey is DSZQQTKCOGBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)7-2-4-8(5-3-7)9(10)11-13/h2-6,12-13H,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide?
N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide is sourced from PubChem (CID 123169234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).