2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile

C12H14N2O — CID 101458245

IUPAC2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile
SMILESCCC1(N)Oc2ccccc2C1(C)C#N
InChIInChI=1S/C12H14N2O/c1-3-12(14)11(2,8-13)9-6-4-5-7-10(9)15-12/h4-7H,3,14H2,1-2H3
InChIKeyLDFDUUONWIBVFN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds1

About 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile

2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile (PubChem CID 101458245) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile
PubChem CID101458245
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile
SMILESCCC1(N)Oc2ccccc2C1(C)C#N
InChIInChI=1S/C12H14N2O/c1-3-12(14)11(2,8-13)9-6-4-5-7-10(9)15-12/h4-7H,3,14H2,1-2H3
InChIKeyLDFDUUONWIBVFN-UHFFFAOYSA-N
XLogP1.93
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile?
The IUPAC name of 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile (CID 101458245) is 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile?
The canonical SMILES for 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile is CCC1(N)Oc2ccccc2C1(C)C#N.
What is the InChIKey of 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile?
The InChIKey is LDFDUUONWIBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-12(14)11(2,8-13)9-6-4-5-7-10(9)15-12/h4-7H,3,14H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile?
2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-3-methyl-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 101458245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).