2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone

C13H11NO4 — CID 117364313

IUPAC2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESCOc1c2ccoc2c(C(=O)CN)c2ccoc12
InChIInChI=1S/C13H11NO4/c1-16-12-8-3-5-17-11(8)10(9(15)6-14)7-2-4-18-13(7)12/h2-5H,6,14H2,1H3
InChIKeyVFDWGEHPTNUSME-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone

2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone (PubChem CID 117364313) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
PubChem CID117364313
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESCOc1c2ccoc2c(C(=O)CN)c2ccoc12
InChIInChI=1S/C13H11NO4/c1-16-12-8-3-5-17-11(8)10(9(15)6-14)7-2-4-18-13(7)12/h2-5H,6,14H2,1H3
InChIKeyVFDWGEHPTNUSME-UHFFFAOYSA-N
XLogP2.33
TPSA78.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone (CID 117364313) is 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone is COc1c2ccoc2c(C(=O)CN)c2ccoc12.
What is the InChIKey of 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone?
The InChIKey is VFDWGEHPTNUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-16-12-8-3-5-17-11(8)10(9(15)6-14)7-2-4-18-13(7)12/h2-5H,6,14H2,1H3.
What are the key properties of 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone?
2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone has a molecular weight of 245.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone is sourced from PubChem (CID 117364313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).