N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide

C9H12N2O2 — CID 142791611

IUPACN'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1CCO
InChIInChI=1S/C9H12N2O2/c10-9(11-13)8-4-2-1-3-7(8)5-6-12/h1-4,12-13H,5-6H2,(H2,10,11)
InChIKeyLSPDNYKVJIIZAH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.32
Rot. Bonds3

About N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide

N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide (PubChem CID 142791611) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
PubChem CID142791611
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1CCO
InChIInChI=1S/C9H12N2O2/c10-9(11-13)8-4-2-1-3-7(8)5-6-12/h1-4,12-13H,5-6H2,(H2,10,11)
InChIKeyLSPDNYKVJIIZAH-UHFFFAOYSA-N
XLogP0.32
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.32
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'}

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Related Compounds

2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N'-hydroxy-2-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 79326179
N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide (CID 142791611) is N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide is N/C(=N\O)c1ccccc1CCO.
What is the InChIKey of N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide?
The InChIKey is LSPDNYKVJIIZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-9(11-13)8-4-2-1-3-7(8)5-6-12/h1-4,12-13H,5-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide?
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide is sourced from PubChem (CID 142791611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).