2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one

C17H21NOS — CID 80527738

IUPAC2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1CC(C)(C)c1cccs1)CCCC2=O
InChIInChI=1S/C17H21NOS/c1-12-10-13-14(6-4-7-15(13)19)18(12)11-17(2,3)16-8-5-9-20-16/h5,8-10H,4,6-7,11H2,1-3H3
InChIKeyCDSSCCUCSNYPKM-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.35
Rot. Bonds3

About 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one

2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 80527738) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one
PubChem CID80527738
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1CC(C)(C)c1cccs1)CCCC2=O
InChIInChI=1S/C17H21NOS/c1-12-10-13-14(6-4-7-15(13)19)18(12)11-17(2,3)16-8-5-9-20-16/h5,8-10H,4,6-7,11H2,1-3H3
InChIKeyCDSSCCUCSNYPKM-UHFFFAOYSA-N
XLogP4.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one (CID 80527738) is 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1CC(C)(C)c1cccs1)CCCC2=O.
What is the InChIKey of 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is CDSSCCUCSNYPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-10-13-14(6-4-7-15(13)19)18(12)11-17(2,3)16-8-5-9-20-16/h5,8-10H,4,6-7,11H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one?
2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 287.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 80527738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).