2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile

C12H14N2O — CID 43804562

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14N2O/c1-14(2)11(8-13)9-3-4-12-10(7-9)5-6-15-12/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBEPXSHLVOWTFGI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.75
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile (PubChem CID 43804562) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile
PubChem CID43804562
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14N2O/c1-14(2)11(8-13)9-3-4-12-10(7-9)5-6-15-12/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBEPXSHLVOWTFGI-UHFFFAOYSA-N
XLogP1.75
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-3-hydroxy-2-methylpropanenitrile
CID 79131894
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
2-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]-3-methylbutanenitrile
CID 116960717
2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile
CID 43804564
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylanilino)acetonitrile
CID 60986622
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile (CID 43804562) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile is CN(C)C(C#N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile?
The InChIKey is BEPXSHLVOWTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)11(8-13)9-3-4-12-10(7-9)5-6-15-12/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 43804562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).