2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one

C16H21NO — CID 82279196

IUPAC2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2c(C(C)C)cccc2c1C(=O)C(C)C
InChIInChI=1S/C16H21NO/c1-9(2)12-7-6-8-13-14(16(18)10(3)4)11(5)17-15(12)13/h6-10,17H,1-5H3
InChIKeyBKXPECNNMGRWTJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.44
Rot. Bonds3

About 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one

2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one (PubChem CID 82279196) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one
PubChem CID82279196
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2c(C(C)C)cccc2c1C(=O)C(C)C
InChIInChI=1S/C16H21NO/c1-9(2)12-7-6-8-13-14(16(18)10(3)4)11(5)17-15(12)13/h6-10,17H,1-5H3
InChIKeyBKXPECNNMGRWTJ-UHFFFAOYSA-N
XLogP4.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one (CID 82279196) is 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2c(C(C)C)cccc2c1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one?
The InChIKey is BKXPECNNMGRWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-9(2)12-7-6-8-13-14(16(18)10(3)4)11(5)17-15(12)13/h6-10,17H,1-5H3.
What are the key properties of 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one?
2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one has a molecular weight of 243.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 82279196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).