3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one

C14H19NO — CID 82032484

IUPAC3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
SMILESCC(C)CC(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C14H19NO/c1-9(2)6-14(16)11-4-5-13-12(8-11)7-10(3)15-13/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyNTLGVOCHVUDJBS-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.27
Rot. Bonds3

About 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one

3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one (PubChem CID 82032484) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
PubChem CID82032484
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
SMILESCC(C)CC(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C14H19NO/c1-9(2)6-14(16)11-4-5-13-12(8-11)7-10(3)15-13/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyNTLGVOCHVUDJBS-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396
2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258040
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256439
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
CID 82256463
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256446
2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258024
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
CID 82257951
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
CID 155747178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one (CID 82032484) is 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one is CC(C)CC(=O)c1ccc2c(c1)CC(C)N2.
What is the InChIKey of 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one?
The InChIKey is NTLGVOCHVUDJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)6-14(16)11-4-5-13-12(8-11)7-10(3)15-13/h4-5,8-10,15H,6-7H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one?
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one is sourced from PubChem (CID 82032484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).