3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one

C17H23NO2 — CID 80643678

IUPAC3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
SMILESCCC(C)C(=O)Cn1ccc2cc(OC(C)C)ccc21
InChIInChI=1S/C17H23NO2/c1-5-13(4)17(19)11-18-9-8-14-10-15(20-12(2)3)6-7-16(14)18/h6-10,12-13H,5,11H2,1-4H3
InChIKeyVLTKLYNXGNVZQB-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.04
Rot. Bonds6

About 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one

3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one (PubChem CID 80643678) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
PubChem CID80643678
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
SMILESCCC(C)C(=O)Cn1ccc2cc(OC(C)C)ccc21
InChIInChI=1S/C17H23NO2/c1-5-13(4)17(19)11-18-9-8-14-10-15(20-12(2)3)6-7-16(14)18/h6-10,12-13H,5,11H2,1-4H3
InChIKeyVLTKLYNXGNVZQB-UHFFFAOYSA-N
XLogP4.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone
CID 80643179
N-(2-methylpropyl)-2-(5-propan-2-yloxyindol-1-yl)acetamide
CID 116625821
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one (CID 80643678) is 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one is CCC(C)C(=O)Cn1ccc2cc(OC(C)C)ccc21.
What is the InChIKey of 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one?
The InChIKey is VLTKLYNXGNVZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-13(4)17(19)11-18-9-8-14-10-15(20-12(2)3)6-7-16(14)18/h6-10,12-13H,5,11H2,1-4H3.
What are the key properties of 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one?
3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one has a molecular weight of 273.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one is sourced from PubChem (CID 80643678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).