2-(1-isocyanoethyl)-6-methoxy-1-benzofuran

C12H11NO2 — CID 4600633

IUPAC2-(1-isocyanoethyl)-6-methoxy-1-benzofuran
SMILES[C-]#[N+]C(C)c1cc2ccc(OC)cc2o1
InChIInChI=1S/C12H11NO2/c1-8(13-2)11-6-9-4-5-10(14-3)7-12(9)15-11/h4-8H,1,3H3
InChIKeyCUCPJWYCGCGRNK-UHFFFAOYSA-N
MW201.22 g/mol
LogP3.42
Rot. Bonds2

About 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran

2-(1-isocyanoethyl)-6-methoxy-1-benzofuran (PubChem CID 4600633) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-(1-isocyanoethyl)-6-methoxy-1-benzofuran
PubChem CID4600633
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(1-isocyanoethyl)-6-methoxy-1-benzofuran
SMILES[C-]#[N+]C(C)c1cc2ccc(OC)cc2o1
InChIInChI=1S/C12H11NO2/c1-8(13-2)11-6-9-4-5-10(14-3)7-12(9)15-11/h4-8H,1,3H3
InChIKeyCUCPJWYCGCGRNK-UHFFFAOYSA-N
XLogP3.42
TPSA26.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran 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

2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 131548433
2-benzhydryl-6-methoxy-1-benzofuran
CID 175356221
2-(isocyanomethyl)-6-methoxy-1-benzofuran
CID 83483329
N-(6-methoxy-1-benzofuran-2-yl)acetamide
CID 173334663
(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
CID 61263642
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
CID 82958164
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
CID 23312199
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312198
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648

Frequently Asked Questions

What is the IUPAC name of 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran?
The IUPAC name of 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran (CID 4600633) is 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran.
What is the SMILES notation for 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran?
The canonical SMILES for 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran is [C-]#[N+]C(C)c1cc2ccc(OC)cc2o1.
What is the InChIKey of 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran?
The InChIKey is CUCPJWYCGCGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(13-2)11-6-9-4-5-10(14-3)7-12(9)15-11/h4-8H,1,3H3.
What are the key properties of 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran?
2-(1-isocyanoethyl)-6-methoxy-1-benzofuran has a molecular weight of 201.22 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-isocyanoethyl)-6-methoxy-1-benzofuran is sourced from PubChem (CID 4600633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).