1-(furan-2-yl)indole

C12H9NO — CID 70543237

IUPAC1-(furan-2-yl)indole
SMILESc1coc(-n2ccc3ccccc32)c1
InChIInChI=1S/C12H9NO/c1-2-5-11-10(4-1)7-8-13(11)12-6-3-9-14-12/h1-9H
InChIKeySMRIPDVOSQYEON-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.22
Rot. Bonds1

About 1-(furan-2-yl)indole

1-(furan-2-yl)indole (PubChem CID 70543237) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(furan-2-yl)indole.

Molecular Properties

Compound Name1-(furan-2-yl)indole
PubChem CID70543237
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name1-(furan-2-yl)indole
SMILESc1coc(-n2ccc3ccccc32)c1
InChIInChI=1S/C12H9NO/c1-2-5-11-10(4-1)7-8-13(11)12-6-3-9-14-12/h1-9H
InChIKeySMRIPDVOSQYEON-UHFFFAOYSA-N
XLogP3.22
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)indole?
The IUPAC name of 1-(furan-2-yl)indole (CID 70543237) is 1-(furan-2-yl)indole.
What is the SMILES notation for 1-(furan-2-yl)indole?
The canonical SMILES for 1-(furan-2-yl)indole is c1coc(-n2ccc3ccccc32)c1.
What is the InChIKey of 1-(furan-2-yl)indole?
The InChIKey is SMRIPDVOSQYEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-5-11-10(4-1)7-8-13(11)12-6-3-9-14-12/h1-9H.
What are the key properties of 1-(furan-2-yl)indole?
1-(furan-2-yl)indole has a molecular weight of 183.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)indole is sourced from PubChem (CID 70543237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).