7-(methylaminomethyl)-1-benzofuran-5-carbonitrile

C11H10N2O — CID 68932212

IUPAC7-(methylaminomethyl)-1-benzofuran-5-carbonitrile
SMILESCNCc1cc(C#N)cc2ccoc12
InChIInChI=1S/C11H10N2O/c1-13-7-10-5-8(6-12)4-9-2-3-14-11(9)10/h2-5,13H,7H2,1H3
InChIKeyXHGCJSYXLLSPQE-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.02
Rot. Bonds2

About 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile

7-(methylaminomethyl)-1-benzofuran-5-carbonitrile (PubChem CID 68932212) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name7-(methylaminomethyl)-1-benzofuran-5-carbonitrile
PubChem CID68932212
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name7-(methylaminomethyl)-1-benzofuran-5-carbonitrile
SMILESCNCc1cc(C#N)cc2ccoc12
InChIInChI=1S/C11H10N2O/c1-13-7-10-5-8(6-12)4-9-2-3-14-11(9)10/h2-5,13H,7H2,1H3
InChIKeyXHGCJSYXLLSPQE-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile?
The IUPAC name of 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile (CID 68932212) is 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile?
The canonical SMILES for 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile is CNCc1cc(C#N)cc2ccoc12.
What is the InChIKey of 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile?
The InChIKey is XHGCJSYXLLSPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-13-7-10-5-8(6-12)4-9-2-3-14-11(9)10/h2-5,13H,7H2,1H3.
What are the key properties of 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile?
7-(methylaminomethyl)-1-benzofuran-5-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylaminomethyl)-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 68932212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).