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

C11H12N2O2 — CID 91622417

IUPACN-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide
SMILESC/C(=N\c1c(C)oc2ccccc12)NO
InChIInChI=1S/C11H12N2O2/c1-7-11(12-8(2)13-14)9-5-3-4-6-10(9)15-7/h3-6,14H,1-2H3,(H,12,13)
InChIKeyFHGCNISFZIKMKV-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.77
Rot. Bonds1

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

N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide (PubChem CID 91622417) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide
PubChem CID91622417
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide
SMILESC/C(=N\c1c(C)oc2ccccc12)NO
InChIInChI=1S/C11H12N2O2/c1-7-11(12-8(2)13-14)9-5-3-4-6-10(9)15-7/h3-6,14H,1-2H3,(H,12,13)
InChIKeyFHGCNISFZIKMKV-UHFFFAOYSA-N
XLogP2.77
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.77
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N'-(2-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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide?
The IUPAC name of N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide (CID 91622417) is N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide.
What is the SMILES notation for N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide?
The canonical SMILES for N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide is C/C(=N\c1c(C)oc2ccccc12)NO.
What is the InChIKey of N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide?
The InChIKey is FHGCNISFZIKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-11(12-8(2)13-14)9-5-3-4-6-10(9)15-7/h3-6,14H,1-2H3,(H,12,13).
What are the key properties of N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide?
N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide has a molecular weight of 204.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide is sourced from PubChem (CID 91622417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).