3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile

C11H12N2O — CID 130053828

IUPAC3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile
SMILESCCc1cc(C#N)cc2c1C(N)CO2
InChIInChI=1S/C11H12N2O/c1-2-8-3-7(5-12)4-10-11(8)9(13)6-14-10/h3-4,9H,2,6,13H2,1H3
InChIKeyAIXYJVFXCTYCFD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.51
Rot. Bonds1

About 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile

3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile (PubChem CID 130053828) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile
PubChem CID130053828
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile
SMILESCCc1cc(C#N)cc2c1C(N)CO2
InChIInChI=1S/C11H12N2O/c1-2-8-3-7(5-12)4-10-11(8)9(13)6-14-10/h3-4,9H,2,6,13H2,1H3
InChIKeyAIXYJVFXCTYCFD-UHFFFAOYSA-N
XLogP1.51
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
The IUPAC name of 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile (CID 130053828) is 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
The canonical SMILES for 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile is CCc1cc(C#N)cc2c1C(N)CO2.
What is the InChIKey of 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
The InChIKey is AIXYJVFXCTYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-8-3-7(5-12)4-10-11(8)9(13)6-14-10/h3-4,9H,2,6,13H2,1H3.
What are the key properties of 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 130053828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).