N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide

C10H12N2O3 — CID 58538631

IUPACN'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(C2(O)COC2)cc1
InChIInChI=1S/C10H12N2O3/c11-9(12-14)7-1-3-8(4-2-7)10(13)5-15-6-10/h1-4,13-14H,5-6H2,(H2,11,12)
InChIKeyZYNXSJMBESJNHR-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.00
Rot. Bonds2

About N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide

N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide (PubChem CID 58538631) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide
PubChem CID58538631
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(C2(O)COC2)cc1
InChIInChI=1S/C10H12N2O3/c11-9(12-14)7-1-3-8(4-2-7)10(13)5-15-6-10/h1-4,13-14H,5-6H2,(H2,11,12)
InChIKeyZYNXSJMBESJNHR-UHFFFAOYSA-N
XLogP-0.00
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide (CID 58538631) is N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide is N/C(=N\O)c1ccc(C2(O)COC2)cc1.
What is the InChIKey of N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide?
The InChIKey is ZYNXSJMBESJNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9(12-14)7-1-3-8(4-2-7)10(13)5-15-6-10/h1-4,13-14H,5-6H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide?
N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide has a molecular weight of 208.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide is sourced from PubChem (CID 58538631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).