3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one

C13H11NO2 — CID 135044283

IUPAC3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one
SMILESCc1[nH]c2ccccc2c1C1=CC(=O)OC1
InChIInChI=1S/C13H11NO2/c1-8-13(9-6-12(15)16-7-9)10-4-2-3-5-11(10)14-8/h2-6,14H,7H2,1H3
InChIKeyHVOKWIMEPIGZNQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.42
Rot. Bonds1

About 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one

3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one (PubChem CID 135044283) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one
PubChem CID135044283
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one
SMILESCc1[nH]c2ccccc2c1C1=CC(=O)OC1
InChIInChI=1S/C13H11NO2/c1-8-13(9-6-12(15)16-7-9)10-4-2-3-5-11(10)14-8/h2-6,14H,7H2,1H3
InChIKeyHVOKWIMEPIGZNQ-UHFFFAOYSA-N
XLogP2.42
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one (CID 135044283) is 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one is Cc1[nH]c2ccccc2c1C1=CC(=O)OC1.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one?
The InChIKey is HVOKWIMEPIGZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-8-13(9-6-12(15)16-7-9)10-4-2-3-5-11(10)14-8/h2-6,14H,7H2,1H3.
What are the key properties of 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one?
3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one has a molecular weight of 213.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one is sourced from PubChem (CID 135044283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).