(3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate

C15H9NO5 — CID 50924263

IUPAC(3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OC1OC(=O)c2ccccc21)c1cc2occc2[nH]1
InChIInChI=1S/C15H9NO5/c17-13-8-3-1-2-4-9(8)15(20-13)21-14(18)11-7-12-10(16-11)5-6-19-12/h1-7,15-16H
InChIKeyNYWNLSTVXDLWCK-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.79
Rot. Bonds2

About (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate

(3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924263) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name(3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924263
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name(3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OC1OC(=O)c2ccccc21)c1cc2occc2[nH]1
InChIInChI=1S/C15H9NO5/c17-13-8-3-1-2-4-9(8)15(20-13)21-14(18)11-7-12-10(16-11)5-6-19-12/h1-7,15-16H
InChIKeyNYWNLSTVXDLWCK-UHFFFAOYSA-N
XLogP2.79
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50924263) is (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate is O=C(OC1OC(=O)c2ccccc21)c1cc2occc2[nH]1.
What is the InChIKey of (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NYWNLSTVXDLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-13-8-3-1-2-4-9(8)15(20-13)21-14(18)11-7-12-10(16-11)5-6-19-12/h1-7,15-16H.
What are the key properties of (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
(3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 283.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1H-2-benzofuran-1-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).