1-(1-methylindol-3-yl)octan-1-one

C17H23NO — CID 43340220

IUPAC1-(1-methylindol-3-yl)octan-1-one
SMILESCCCCCCCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-12-17(19)15-13-18(2)16-11-9-8-10-14(15)16/h8-11,13H,3-7,12H2,1-2H3
InChIKeyRIAWTTXHDQNJAT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.72
Rot. Bonds7

About 1-(1-methylindol-3-yl)octan-1-one

1-(1-methylindol-3-yl)octan-1-one (PubChem CID 43340220) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)octan-1-one.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)octan-1-one
PubChem CID43340220
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1-methylindol-3-yl)octan-1-one
SMILESCCCCCCCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-12-17(19)15-13-18(2)16-11-9-8-10-14(15)16/h8-11,13H,3-7,12H2,1-2H3
InChIKeyRIAWTTXHDQNJAT-UHFFFAOYSA-N
XLogP4.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
hexyl 1-methylindole-3-carboxylate
CID 135057842
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
ethyl 4-(3-tridecanoylindol-1-yl)butanoate
CID 22400496
ethyl 4-(3-dodecanoylindol-1-yl)butanoate
CID 22400499
[(E)-[1-(1-methylindol-3-yl)-1-oxooctan-2-ylidene]amino] propanoate
CID 126609753
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
1-naphthalen-1-yldodecan-1-one
CID 3424169
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)octan-1-one?
The IUPAC name of 1-(1-methylindol-3-yl)octan-1-one (CID 43340220) is 1-(1-methylindol-3-yl)octan-1-one.
What is the SMILES notation for 1-(1-methylindol-3-yl)octan-1-one?
The canonical SMILES for 1-(1-methylindol-3-yl)octan-1-one is CCCCCCCC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindol-3-yl)octan-1-one?
The InChIKey is RIAWTTXHDQNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-7-12-17(19)15-13-18(2)16-11-9-8-10-14(15)16/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 1-(1-methylindol-3-yl)octan-1-one?
1-(1-methylindol-3-yl)octan-1-one has a molecular weight of 257.38 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)octan-1-one is sourced from PubChem (CID 43340220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).