3-(furan-3-yl)-1H-indole

C12H9NO — CID 10607518

IUPAC3-(furan-3-yl)-1H-indole
SMILESc1ccc2c(-c3ccoc3)c[nH]c2c1
InChIInChI=1S/C12H9NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8,13H
InChIKeyAFKNGDFJVAPDNN-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.43
Rot. Bonds1

About 3-(furan-3-yl)-1H-indole

3-(furan-3-yl)-1H-indole (PubChem CID 10607518) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(furan-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(furan-3-yl)-1H-indole
PubChem CID10607518
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3-(furan-3-yl)-1H-indole
SMILESc1ccc2c(-c3ccoc3)c[nH]c2c1
InChIInChI=1S/C12H9NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8,13H
InChIKeyAFKNGDFJVAPDNN-UHFFFAOYSA-N
XLogP3.43
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1H-indole?
The IUPAC name of 3-(furan-3-yl)-1H-indole (CID 10607518) is 3-(furan-3-yl)-1H-indole.
What is the SMILES notation for 3-(furan-3-yl)-1H-indole?
The canonical SMILES for 3-(furan-3-yl)-1H-indole is c1ccc2c(-c3ccoc3)c[nH]c2c1.
What is the InChIKey of 3-(furan-3-yl)-1H-indole?
The InChIKey is AFKNGDFJVAPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8,13H.
What are the key properties of 3-(furan-3-yl)-1H-indole?
3-(furan-3-yl)-1H-indole has a molecular weight of 183.21 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1H-indole is sourced from PubChem (CID 10607518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).