5-isocyano-2,3-dihydro-1-benzofuran

C9H7NO — CID 83479252

IUPAC5-isocyano-2,3-dihydro-1-benzofuran
SMILES[C-]#[N+]c1ccc2c(c1)CCO2
InChIInChI=1S/C9H7NO/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-3,6H,4-5H2
InChIKeyXEQMDTFJXUEEDB-UHFFFAOYSA-N
MW145.16 g/mol
LogP2.17
Rot. Bonds

About 5-isocyano-2,3-dihydro-1-benzofuran

5-isocyano-2,3-dihydro-1-benzofuran (PubChem CID 83479252) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-isocyano-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-isocyano-2,3-dihydro-1-benzofuran
PubChem CID83479252
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name5-isocyano-2,3-dihydro-1-benzofuran
SMILES[C-]#[N+]c1ccc2c(c1)CCO2
InChIInChI=1S/C9H7NO/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-3,6H,4-5H2
InChIKeyXEQMDTFJXUEEDB-UHFFFAOYSA-N
XLogP2.17
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
CID 82648102
5-[(E)-1-isocyanoprop-1-en-2-yl]-2,3-dihydro-1-benzofuran
CID 59118271
5-(2-isocyanobutyl)-2,3-dihydro-1-benzofuran
CID 176776889
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
CID 83480135
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-isocyano-2,3-dihydro-1-benzofuran (CID 83479252) is 5-isocyano-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-isocyano-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-isocyano-2,3-dihydro-1-benzofuran is [C-]#[N+]c1ccc2c(c1)CCO2.
What is the InChIKey of 5-isocyano-2,3-dihydro-1-benzofuran?
The InChIKey is XEQMDTFJXUEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-3,6H,4-5H2.
What are the key properties of 5-isocyano-2,3-dihydro-1-benzofuran?
5-isocyano-2,3-dihydro-1-benzofuran has a molecular weight of 145.16 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 83479252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).