N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide

C10H10N2O3 — CID 83882664

IUPACN'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide
SMILESN/C(Cc1cc2ccoc2cc1O)=N\O
InChIInChI=1S/C10H10N2O3/c11-10(12-14)4-7-3-6-1-2-15-9(6)5-8(7)13/h1-3,5,13-14H,4H2,(H2,11,12)
InChIKeyIPQJYZPKURZLKY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.43
Rot. Bonds2

About N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide

N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide (PubChem CID 83882664) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide
PubChem CID83882664
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide
SMILESN/C(Cc1cc2ccoc2cc1O)=N\O
InChIInChI=1S/C10H10N2O3/c11-10(12-14)4-7-3-6-1-2-15-9(6)5-8(7)13/h1-3,5,13-14H,4H2,(H2,11,12)
InChIKeyIPQJYZPKURZLKY-UHFFFAOYSA-N
XLogP1.43
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.43
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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Related Compounds

5-(3-aminopropyl)-1-benzofuran-6-ol
CID 83877743
6-(2-aminoethyl)-1-benzofuran-5-ol
CID 83874684
methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
CID 15391031
2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
CID 57270874
5-ethyl-6-methyl-1-benzofuran
CID 143804380
N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide
CID 119085603
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol
CID 166973869
2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 57364800

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide (CID 83882664) is N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide is N/C(Cc1cc2ccoc2cc1O)=N\O.
What is the InChIKey of N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide?
The InChIKey is IPQJYZPKURZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-10(12-14)4-7-3-6-1-2-15-9(6)5-8(7)13/h1-3,5,13-14H,4H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide?
N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide has a molecular weight of 206.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide is sourced from PubChem (CID 83882664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).