2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile

C11H10N2O — CID 116955062

IUPAC2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1coc2ccccc12
InChIInChI=1S/C11H10N2O/c1-13-10(6-12)9-7-14-11-5-3-2-4-8(9)11/h2-5,7,10,13H,1H3
InChIKeyJYMBCCWFSKFXSW-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.22
Rot. Bonds2

About 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile

2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile (PubChem CID 116955062) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile
PubChem CID116955062
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1coc2ccccc12
InChIInChI=1S/C11H10N2O/c1-13-10(6-12)9-7-14-11-5-3-2-4-8(9)11/h2-5,7,10,13H,1H3
InChIKeyJYMBCCWFSKFXSW-UHFFFAOYSA-N
XLogP2.22
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216
2-(1-benzofuran-3-yl)-3-methylbutanenitrile
CID 116964671
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-(1-benzofuran-3-yl)-1-(3-bromo-2,6-difluorophenyl)-N-methylmethanamine
CID 106942961
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
3-benzhydryl-1-benzofuran
CID 53493031

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile (CID 116955062) is 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile is CNC(C#N)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile?
The InChIKey is JYMBCCWFSKFXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-13-10(6-12)9-7-14-11-5-3-2-4-8(9)11/h2-5,7,10,13H,1H3.
What are the key properties of 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile?
2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 116955062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).