(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone

C13H9NO3 — CID 2398025

IUPAC(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone
SMILESNc1c(C(=O)c2ccco2)oc2ccccc12
InChIInChI=1S/C13H9NO3/c14-11-8-4-1-2-5-9(8)17-13(11)12(15)10-6-3-7-16-10/h1-7H,14H2
InChIKeyWUJHSEBHZVJTIN-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.84
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone

(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone (PubChem CID 2398025) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone
PubChem CID2398025
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone
SMILESNc1c(C(=O)c2ccco2)oc2ccccc12
InChIInChI=1S/C13H9NO3/c14-11-8-4-1-2-5-9(8)17-13(11)12(15)10-6-3-7-16-10/h1-7H,14H2
InChIKeyWUJHSEBHZVJTIN-UHFFFAOYSA-N
XLogP2.84
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone (CID 2398025) is (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone is Nc1c(C(=O)c2ccco2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone?
The InChIKey is WUJHSEBHZVJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c14-11-8-4-1-2-5-9(8)17-13(11)12(15)10-6-3-7-16-10/h1-7H,14H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone?
(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone has a molecular weight of 227.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 2398025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).