2-butyl-4-(furan-2-yl)-1H-indole

C16H17NO — CID 46915137

IUPAC2-butyl-4-(furan-2-yl)-1H-indole
SMILESCCCCc1cc2c(-c3ccco3)cccc2[nH]1
InChIInChI=1S/C16H17NO/c1-2-3-6-12-11-14-13(16-9-5-10-18-16)7-4-8-15(14)17-12/h4-5,7-11,17H,2-3,6H2,1H3
InChIKeyRQPBJGZBFFIRBE-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.77
Rot. Bonds4

About 2-butyl-4-(furan-2-yl)-1H-indole

2-butyl-4-(furan-2-yl)-1H-indole (PubChem CID 46915137) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-butyl-4-(furan-2-yl)-1H-indole.

Molecular Properties

Compound Name2-butyl-4-(furan-2-yl)-1H-indole
PubChem CID46915137
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-butyl-4-(furan-2-yl)-1H-indole
SMILESCCCCc1cc2c(-c3ccco3)cccc2[nH]1
InChIInChI=1S/C16H17NO/c1-2-3-6-12-11-14-13(16-9-5-10-18-16)7-4-8-15(14)17-12/h4-5,7-11,17H,2-3,6H2,1H3
InChIKeyRQPBJGZBFFIRBE-UHFFFAOYSA-N
XLogP4.77
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(furan-2-yl)-1H-indole?
The IUPAC name of 2-butyl-4-(furan-2-yl)-1H-indole (CID 46915137) is 2-butyl-4-(furan-2-yl)-1H-indole.
What is the SMILES notation for 2-butyl-4-(furan-2-yl)-1H-indole?
The canonical SMILES for 2-butyl-4-(furan-2-yl)-1H-indole is CCCCc1cc2c(-c3ccco3)cccc2[nH]1.
What is the InChIKey of 2-butyl-4-(furan-2-yl)-1H-indole?
The InChIKey is RQPBJGZBFFIRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-3-6-12-11-14-13(16-9-5-10-18-16)7-4-8-15(14)17-12/h4-5,7-11,17H,2-3,6H2,1H3.
What are the key properties of 2-butyl-4-(furan-2-yl)-1H-indole?
2-butyl-4-(furan-2-yl)-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(furan-2-yl)-1H-indole is sourced from PubChem (CID 46915137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).