3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one

C14H13NO3S — CID 107783488

IUPAC3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one
SMILESCc1occc1Sc1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C14H13NO3S/c1-8-12(5-6-18-8)19-9-3-4-10-11(7-9)15(2)14(17)13(10)16/h3-7,13,16H,1-2H3
InChIKeySNKYQJURBRTHKH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.75
Rot. Bonds2

About 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one

3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one (PubChem CID 107783488) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one
PubChem CID107783488
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one
SMILESCc1occc1Sc1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C14H13NO3S/c1-8-12(5-6-18-8)19-9-3-4-10-11(7-9)15(2)14(17)13(10)16/h3-7,13,16H,1-2H3
InChIKeySNKYQJURBRTHKH-UHFFFAOYSA-N
XLogP2.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one (CID 107783488) is 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one is Cc1occc1Sc1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one?
The InChIKey is SNKYQJURBRTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-12(5-6-18-8)19-9-3-4-10-11(7-9)15(2)14(17)13(10)16/h3-7,13,16H,1-2H3.
What are the key properties of 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one?
3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one has a molecular weight of 275.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(2-methylfuran-3-yl)sulfanyl-3H-indol-2-one is sourced from PubChem (CID 107783488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).