(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone

C16H15NO2 — CID 114819754

IUPAC(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3coc(C)c3)cn(C)c2c1
InChIInChI=1S/C16H15NO2/c1-10-4-5-13-14(8-17(3)15(13)6-10)16(18)12-7-11(2)19-9-12/h4-9H,1-3H3
InChIKeyPSOBTBCXLZWRHN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.62
Rot. Bonds2

About (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone

(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone (PubChem CID 114819754) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
PubChem CID114819754
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3coc(C)c3)cn(C)c2c1
InChIInChI=1S/C16H15NO2/c1-10-4-5-13-14(8-17(3)15(13)6-10)16(18)12-7-11(2)19-9-12/h4-9H,1-3H3
InChIKeyPSOBTBCXLZWRHN-UHFFFAOYSA-N
XLogP3.62
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone (CID 114819754) is (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone is Cc1ccc2c(C(=O)c3coc(C)c3)cn(C)c2c1.
What is the InChIKey of (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone?
The InChIKey is PSOBTBCXLZWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-4-5-13-14(8-17(3)15(13)6-10)16(18)12-7-11(2)19-9-12/h4-9H,1-3H3.
What are the key properties of (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone?
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114819754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).