1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one

C15H21NO — CID 116611981

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H21NO/c1-11(2)4-3-5-15(17)13-7-6-12-8-9-16-14(12)10-13/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyCRZPSWBGRPJGSY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one

1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one (PubChem CID 116611981) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
PubChem CID116611981
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H21NO/c1-11(2)4-3-5-15(17)13-7-6-12-8-9-16-14(12)10-13/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyCRZPSWBGRPJGSY-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-Methyl-1H-indole-2,3-dione
CID 14318
(E)-6-Styrylisatin
CID 42629116
2-(2,5-Dimethylanilino)-1-(4-methylphenyl)ethanone
CID 788618
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide
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CID 854200

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one (CID 116611981) is 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one is CC(C)CCCC(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one?
The InChIKey is CRZPSWBGRPJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)4-3-5-15(17)13-7-6-12-8-9-16-14(12)10-13/h6-7,10-11,16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one?
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one is sourced from PubChem (CID 116611981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).