1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one

C15H15NOS — CID 139255176

IUPAC1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one
SMILESCc1ccc(C2(C)C(=O)N(C)c3ccccc32)s1
InChIInChI=1S/C15H15NOS/c1-10-8-9-13(18-10)15(2)11-6-4-5-7-12(11)16(3)14(15)17/h4-9H,1-3H3
InChIKeyVBEAFLPHUWTBDQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.34
Rot. Bonds1

About 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one

1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one (PubChem CID 139255176) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one
PubChem CID139255176
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one
SMILESCc1ccc(C2(C)C(=O)N(C)c3ccccc32)s1
InChIInChI=1S/C15H15NOS/c1-10-8-9-13(18-10)15(2)11-6-4-5-7-12(11)16(3)14(15)17/h4-9H,1-3H3
InChIKeyVBEAFLPHUWTBDQ-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one?
The IUPAC name of 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one (CID 139255176) is 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one.
What is the SMILES notation for 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one?
The canonical SMILES for 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one is Cc1ccc(C2(C)C(=O)N(C)c3ccccc32)s1.
What is the InChIKey of 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one?
The InChIKey is VBEAFLPHUWTBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-8-9-13(18-10)15(2)11-6-4-5-7-12(11)16(3)14(15)17/h4-9H,1-3H3.
What are the key properties of 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one?
1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one has a molecular weight of 257.36 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-(5-methylthiophen-2-yl)indol-2-one is sourced from PubChem (CID 139255176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).