1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane

C12H19NO2 — CID 91494783

IUPAC1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1c(N)oc2c1CCCC2
InChIInChI=1S/C10H13NO2.C2H6/c1-6(12)9-7-4-2-3-5-8(7)13-10(9)11;1-2/h2-5,11H2,1H3;1-2H3
InChIKeyIXQUCBBWJOKIQX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.97
Rot. Bonds1

About 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane

1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane (PubChem CID 91494783) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane
PubChem CID91494783
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1c(N)oc2c1CCCC2
InChIInChI=1S/C10H13NO2.C2H6/c1-6(12)9-7-4-2-3-5-8(7)13-10(9)11;1-2/h2-5,11H2,1H3;1-2H3
InChIKeyIXQUCBBWJOKIQX-UHFFFAOYSA-N
XLogP2.97
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane?
The IUPAC name of 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane (CID 91494783) is 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane.
What is the SMILES notation for 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane?
The canonical SMILES for 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane is CC.CC(=O)c1c(N)oc2c1CCCC2.
What is the InChIKey of 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane?
The InChIKey is IXQUCBBWJOKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-6(12)9-7-4-2-3-5-8(7)13-10(9)11;1-2/h2-5,11H2,1H3;1-2H3.
What are the key properties of 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane?
1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane has a molecular weight of 209.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane is sourced from PubChem (CID 91494783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).