1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one

C15H19NO — CID 117204811

IUPAC1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cc(C)n(C(C)C)c2c1
InChIInChI=1S/C15H19NO/c1-10(2)16-11(3)7-14-6-5-13(8-12(4)17)9-15(14)16/h5-7,9-10H,8H2,1-4H3
InChIKeyDSLBLBNCKBFCOO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.66
Rot. Bonds3

About 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one

1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one (PubChem CID 117204811) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one
PubChem CID117204811
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cc(C)n(C(C)C)c2c1
InChIInChI=1S/C15H19NO/c1-10(2)16-11(3)7-14-6-5-13(8-12(4)17)9-15(14)16/h5-7,9-10H,8H2,1-4H3
InChIKeyDSLBLBNCKBFCOO-UHFFFAOYSA-N
XLogP3.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-1-propan-2-ylindol-6-yl)propan-1-amine
CID 117204891
1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
CID 117196062
2-methyl-1-propan-2-ylindole-6-carbaldehyde
CID 117204814
1-[1-propan-2-yl-6-(trifluoromethyl)indol-2-yl]propan-2-one
CID 117195786
1-[4-(bromomethyl)-3-methylphenyl]propan-2-one
CID 131190669
1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
CID 117195257
N-methyl-2-(2-methyl-1-propan-2-ylindol-5-yl)ethanamine
CID 117204605
1-[3-bromo-4-(1-fluoroethyl)phenyl]propan-2-one
CID 84709740
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
CID 157171758
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 146002630
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one?
The IUPAC name of 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one (CID 117204811) is 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one?
The canonical SMILES for 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one is CC(=O)Cc1ccc2cc(C)n(C(C)C)c2c1.
What is the InChIKey of 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one?
The InChIKey is DSLBLBNCKBFCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)16-11(3)7-14-6-5-13(8-12(4)17)9-15(14)16/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one?
1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one is sourced from PubChem (CID 117204811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).