ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one

C15H23NO2 — CID 143235318

IUPACethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one
SMILESCC.CCC1(CCNC)OC(=O)c2ccccc21
InChIInChI=1S/C13H17NO2.C2H6/c1-3-13(8-9-14-2)11-7-5-4-6-10(11)12(15)16-13;1-2/h4-7,14H,3,8-9H2,1-2H3;1-2H3
InChIKeyBHINFQBLGSPMCS-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.10
Rot. Bonds4

About ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one

ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one (PubChem CID 143235318) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one.

Molecular Properties

Compound Nameethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one
PubChem CID143235318
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one
SMILESCC.CCC1(CCNC)OC(=O)c2ccccc21
InChIInChI=1S/C13H17NO2.C2H6/c1-3-13(8-9-14-2)11-7-5-4-6-10(11)12(15)16-13;1-2/h4-7,14H,3,8-9H2,1-2H3;1-2H3
InChIKeyBHINFQBLGSPMCS-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one?
The IUPAC name of ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one (CID 143235318) is ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one.
What is the SMILES notation for ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one?
The canonical SMILES for ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one is CC.CCC1(CCNC)OC(=O)c2ccccc21.
What is the InChIKey of ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one?
The InChIKey is BHINFQBLGSPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c1-3-13(8-9-14-2)11-7-5-4-6-10(11)12(15)16-13;1-2/h4-7,14H,3,8-9H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one?
ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one is sourced from PubChem (CID 143235318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).