N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide

C11H12N2O2 — CID 119085603

IUPACN'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide
SMILESCc1ccc2occ(C/C(N)=N/O)c2c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-10-9(4-7)8(6-15-10)5-11(12)13-14/h2-4,6,14H,5H2,1H3,(H2,12,13)
InChIKeyIHEGFYFDWLIRSP-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.03
Rot. Bonds2

About N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide

N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide (PubChem CID 119085603) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide
PubChem CID119085603
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide
SMILESCc1ccc2occ(C/C(N)=N/O)c2c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-10-9(4-7)8(6-15-10)5-11(12)13-14/h2-4,6,14H,5H2,1H3,(H2,12,13)
InChIKeyIHEGFYFDWLIRSP-UHFFFAOYSA-N
XLogP2.03
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
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-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide 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,N-diethyl-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 110488649
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
3-(6-methyl-4-oxochromen-3-yl)propanoic acid
CID 16643139
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide (CID 119085603) is N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide is Cc1ccc2occ(C/C(N)=N/O)c2c1.
What is the InChIKey of N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide?
The InChIKey is IHEGFYFDWLIRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-2-3-10-9(4-7)8(6-15-10)5-11(12)13-14/h2-4,6,14H,5H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide?
N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide has a molecular weight of 204.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide is sourced from PubChem (CID 119085603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).