6-(methylamino)-1-benzofuran-2-carbonitrile

C10H8N2O — CID 46908320

IUPAC6-(methylamino)-1-benzofuran-2-carbonitrile
SMILESCNc1ccc2cc(C#N)oc2c1
InChIInChI=1S/C10H8N2O/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-5,12H,1H3
InChIKeyLAHKWHISLCBFQC-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.35
Rot. Bonds1

About 6-(methylamino)-1-benzofuran-2-carbonitrile

6-(methylamino)-1-benzofuran-2-carbonitrile (PubChem CID 46908320) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 6-(methylamino)-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-(methylamino)-1-benzofuran-2-carbonitrile
PubChem CID46908320
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name6-(methylamino)-1-benzofuran-2-carbonitrile
SMILESCNc1ccc2cc(C#N)oc2c1
InChIInChI=1S/C10H8N2O/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-5,12H,1H3
InChIKeyLAHKWHISLCBFQC-UHFFFAOYSA-N
XLogP2.35
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1-benzofuran-2-carbonitrile?
The IUPAC name of 6-(methylamino)-1-benzofuran-2-carbonitrile (CID 46908320) is 6-(methylamino)-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 6-(methylamino)-1-benzofuran-2-carbonitrile?
The canonical SMILES for 6-(methylamino)-1-benzofuran-2-carbonitrile is CNc1ccc2cc(C#N)oc2c1.
What is the InChIKey of 6-(methylamino)-1-benzofuran-2-carbonitrile?
The InChIKey is LAHKWHISLCBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-5,12H,1H3.
What are the key properties of 6-(methylamino)-1-benzofuran-2-carbonitrile?
6-(methylamino)-1-benzofuran-2-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 46908320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).