2,3-dimethyl-1-benzofuran-4-carbonitrile

C11H9NO — CID 82653298

IUPAC2,3-dimethyl-1-benzofuran-4-carbonitrile
SMILESCc1oc2cccc(C#N)c2c1C
InChIInChI=1S/C11H9NO/c1-7-8(2)13-10-5-3-4-9(6-12)11(7)10/h3-5H,1-2H3
InChIKeyUQDAMFYNPJEIOD-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.92
Rot. Bonds

About 2,3-dimethyl-1-benzofuran-4-carbonitrile

2,3-dimethyl-1-benzofuran-4-carbonitrile (PubChem CID 82653298) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran-4-carbonitrile.

Molecular Properties

Compound Name2,3-dimethyl-1-benzofuran-4-carbonitrile
PubChem CID82653298
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2,3-dimethyl-1-benzofuran-4-carbonitrile
SMILESCc1oc2cccc(C#N)c2c1C
InChIInChI=1S/C11H9NO/c1-7-8(2)13-10-5-3-4-9(6-12)11(7)10/h3-5H,1-2H3
InChIKeyUQDAMFYNPJEIOD-UHFFFAOYSA-N
XLogP2.92
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyano-3-methyl-1-benzofuran-2-yl)methyl-methylcarbamic acid
CID 156500092
4-ethyl-2,3-dimethyl-1-benzofuran
CID 121007664
2-bromo-3-methyl-1-benzothiophene-4-carbonitrile
CID 130820883
7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 170251327
2,3-dimethylquinoline-4,5-dicarbonitrile
CID 68560454
2-nitro-3-phenyl-1-benzofuran-4-carbonitrile
CID 160751971
8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 154615290
2-methylbenzonitrile
CID 162098401
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
2-ethyl-1,3-benzoxazole-4-carbonitrile
CID 130769344
methane;3-methyl-1H-indole-4-carbonitrile
CID 161218603
2-fluoro-1,3-benzoxazole-4-carbonitrile
CID 118816361

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran-4-carbonitrile?
The IUPAC name of 2,3-dimethyl-1-benzofuran-4-carbonitrile (CID 82653298) is 2,3-dimethyl-1-benzofuran-4-carbonitrile.
What is the SMILES notation for 2,3-dimethyl-1-benzofuran-4-carbonitrile?
The canonical SMILES for 2,3-dimethyl-1-benzofuran-4-carbonitrile is Cc1oc2cccc(C#N)c2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzofuran-4-carbonitrile?
The InChIKey is UQDAMFYNPJEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-7-8(2)13-10-5-3-4-9(6-12)11(7)10/h3-5H,1-2H3.
What are the key properties of 2,3-dimethyl-1-benzofuran-4-carbonitrile?
2,3-dimethyl-1-benzofuran-4-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-benzofuran-4-carbonitrile is sourced from PubChem (CID 82653298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).