2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide

C9H8INO — CID 175751936

IUPAC2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide
SMILESI.N#CC1Cc2ccccc2O1
InChIInChI=1S/C9H7NO.HI/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5H2;1H
InChIKeyVXUQBMGSSKNCKF-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.13
Rot. Bonds

About 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide

2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide (PubChem CID 175751936) has the molecular formula C9H8INO and a molecular weight of 273.07 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide
PubChem CID175751936
Molecular FormulaC9H8INO
Molecular Weight273.07 g/mol
Exact Mass272.97
IUPAC Name2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide
SMILESI.N#CC1Cc2ccccc2O1
InChIInChI=1S/C9H7NO.HI/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5H2;1H
InChIKeyVXUQBMGSSKNCKF-UHFFFAOYSA-N
XLogP2.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide 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

(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
8-chloro-1-oxo-3,4-dihydroisochromene-3-carbonitrile
CID 114517421
4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonitrile
CID 12826553
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 66363965
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide (CID 175751936) is 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide is I.N#CC1Cc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide?
The InChIKey is VXUQBMGSSKNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.HI/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide?
2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide has a molecular weight of 273.07 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-carbonitrile;hydroiodide is sourced from PubChem (CID 175751936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).