2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one

C16H21NO — CID 82254393

IUPAC2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
SMILESCCC(C(=O)c1c(C)[nH]c2ccccc12)C(C)C
InChIInChI=1S/C16H21NO/c1-5-12(10(2)3)16(18)15-11(4)17-14-9-7-6-8-13(14)15/h6-10,12,17H,5H2,1-4H3
InChIKeyMAFQONPZMDCMKB-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.34
Rot. Bonds4

About 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one

2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one (PubChem CID 82254393) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
PubChem CID82254393
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
SMILESCCC(C(=O)c1c(C)[nH]c2ccccc12)C(C)C
InChIInChI=1S/C16H21NO/c1-5-12(10(2)3)16(18)15-11(4)17-14-9-7-6-8-13(14)15/h6-10,12,17H,5H2,1-4H3
InChIKeyMAFQONPZMDCMKB-UHFFFAOYSA-N
XLogP4.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361
3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682279
3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682281
CID 170645728
CID 170645728
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
CID 9434127
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049883
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one (CID 82254393) is 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one is CCC(C(=O)c1c(C)[nH]c2ccccc12)C(C)C.
What is the InChIKey of 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one?
The InChIKey is MAFQONPZMDCMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-12(10(2)3)16(18)15-11(4)17-14-9-7-6-8-13(14)15/h6-10,12,17H,5H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one?
2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one has a molecular weight of 243.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 82254393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).