N',2-dihydroxy-2-phenylethanimidamide

C8H10N2O2 — CID 4302035

IUPACN',2-dihydroxy-2-phenylethanimidamide
SMILESNC(=NO)C(O)c1ccccc1
InChIInChI=1S/C8H10N2O2/c9-8(10-12)7(11)6-4-2-1-3-5-6/h1-5,7,11-12H,(H2,9,10)
InChIKeyGXYVISXLFBQBKH-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.47
Rot. Bonds2

About N',2-dihydroxy-2-phenylethanimidamide

N',2-dihydroxy-2-phenylethanimidamide (PubChem CID 4302035) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N',2-dihydroxy-2-phenylethanimidamide.

Molecular Properties

Compound NameN',2-dihydroxy-2-phenylethanimidamide
PubChem CID4302035
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN',2-dihydroxy-2-phenylethanimidamide
SMILESNC(=NO)C(O)c1ccccc1
InChIInChI=1S/C8H10N2O2/c9-8(10-12)7(11)6-4-2-1-3-5-6/h1-5,7,11-12H,(H2,9,10)
InChIKeyGXYVISXLFBQBKH-UHFFFAOYSA-N
XLogP0.47
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of N',2-dihydroxy-2-phenylethanimidamide?
The IUPAC name of N',2-dihydroxy-2-phenylethanimidamide (CID 4302035) is N',2-dihydroxy-2-phenylethanimidamide.
What is the SMILES notation for N',2-dihydroxy-2-phenylethanimidamide?
The canonical SMILES for N',2-dihydroxy-2-phenylethanimidamide is NC(=NO)C(O)c1ccccc1.
What is the InChIKey of N',2-dihydroxy-2-phenylethanimidamide?
The InChIKey is GXYVISXLFBQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-8(10-12)7(11)6-4-2-1-3-5-6/h1-5,7,11-12H,(H2,9,10).
What are the key properties of N',2-dihydroxy-2-phenylethanimidamide?
N',2-dihydroxy-2-phenylethanimidamide has a molecular weight of 166.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxy-2-phenylethanimidamide is sourced from PubChem (CID 4302035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).