6-(diethylamino)-1-benzofuran-3-one

C12H15NO2 — CID 605467

IUPAC6-(diethylamino)-1-benzofuran-3-one
SMILESCCN(CC)c1ccc2c(c1)OCC2=O
InChIInChI=1S/C12H15NO2/c1-3-13(4-2)9-5-6-10-11(14)8-15-12(10)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyTXHWKXWJMVVPTG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.11
Rot. Bonds3

About 6-(diethylamino)-1-benzofuran-3-one

6-(diethylamino)-1-benzofuran-3-one (PubChem CID 605467) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(diethylamino)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(diethylamino)-1-benzofuran-3-one
PubChem CID605467
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-(diethylamino)-1-benzofuran-3-one
SMILESCCN(CC)c1ccc2c(c1)OCC2=O
InChIInChI=1S/C12H15NO2/c1-3-13(4-2)9-5-6-10-11(14)8-15-12(10)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyTXHWKXWJMVVPTG-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-1-benzofuran-3-one?
The IUPAC name of 6-(diethylamino)-1-benzofuran-3-one (CID 605467) is 6-(diethylamino)-1-benzofuran-3-one.
What is the SMILES notation for 6-(diethylamino)-1-benzofuran-3-one?
The canonical SMILES for 6-(diethylamino)-1-benzofuran-3-one is CCN(CC)c1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-(diethylamino)-1-benzofuran-3-one?
The InChIKey is TXHWKXWJMVVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-13(4-2)9-5-6-10-11(14)8-15-12(10)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 6-(diethylamino)-1-benzofuran-3-one?
6-(diethylamino)-1-benzofuran-3-one has a molecular weight of 205.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1-benzofuran-3-one is sourced from PubChem (CID 605467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).