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

C11H9NO2 — CID 83483329

IUPAC2-(isocyanomethyl)-6-methoxy-1-benzofuran
SMILES[C-]#[N+]Cc1cc2ccc(OC)cc2o1
InChIInChI=1S/C11H9NO2/c1-12-7-10-5-8-3-4-9(13-2)6-11(8)14-10/h3-6H,7H2,2H3
InChIKeyFMIOXKUAHJWSHY-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.86
Rot. Bonds2

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

2-(isocyanomethyl)-6-methoxy-1-benzofuran (PubChem CID 83483329) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(isocyanomethyl)-6-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-(isocyanomethyl)-6-methoxy-1-benzofuran
PubChem CID83483329
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-(isocyanomethyl)-6-methoxy-1-benzofuran
SMILES[C-]#[N+]Cc1cc2ccc(OC)cc2o1
InChIInChI=1S/C11H9NO2/c1-12-7-10-5-8-3-4-9(13-2)6-11(8)14-10/h3-6H,7H2,2H3
InChIKeyFMIOXKUAHJWSHY-UHFFFAOYSA-N
XLogP2.86
TPSA26.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-isocyanoethyl)-6-methoxy-1-benzofuran
CID 4600633
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide
CID 66915735
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 131548433
1-(isocyanomethyl)-4-methoxy-2-methylbenzene
CID 83480247
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
2-benzhydryl-6-methoxy-1-benzofuran
CID 175356221
N-(6-methoxy-1-benzofuran-2-yl)acetamide
CID 173334663
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437

Frequently Asked Questions

What is the IUPAC name of 2-(isocyanomethyl)-6-methoxy-1-benzofuran?
The IUPAC name of 2-(isocyanomethyl)-6-methoxy-1-benzofuran (CID 83483329) is 2-(isocyanomethyl)-6-methoxy-1-benzofuran.
What is the SMILES notation for 2-(isocyanomethyl)-6-methoxy-1-benzofuran?
The canonical SMILES for 2-(isocyanomethyl)-6-methoxy-1-benzofuran is [C-]#[N+]Cc1cc2ccc(OC)cc2o1.
What is the InChIKey of 2-(isocyanomethyl)-6-methoxy-1-benzofuran?
The InChIKey is FMIOXKUAHJWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-12-7-10-5-8-3-4-9(13-2)6-11(8)14-10/h3-6H,7H2,2H3.
What are the key properties of 2-(isocyanomethyl)-6-methoxy-1-benzofuran?
2-(isocyanomethyl)-6-methoxy-1-benzofuran has a molecular weight of 187.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isocyanomethyl)-6-methoxy-1-benzofuran is sourced from PubChem (CID 83483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).