cyclooctyl-(2-methyl-1H-indol-3-yl)methanone

C18H23NO — CID 65018781

IUPACcyclooctyl-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1CCCCCCC1
InChIInChI=1S/C18H23NO/c1-13-17(15-11-7-8-12-16(15)19-13)18(20)14-9-5-3-2-4-6-10-14/h7-8,11-12,14,19H,2-6,9-10H2,1H3
InChIKeyDTLSOXUXKQVLIM-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.02
Rot. Bonds2

About cyclooctyl-(2-methyl-1H-indol-3-yl)methanone

cyclooctyl-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 65018781) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is cyclooctyl-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namecyclooctyl-(2-methyl-1H-indol-3-yl)methanone
PubChem CID65018781
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Namecyclooctyl-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1CCCCCCC1
InChIInChI=1S/C18H23NO/c1-13-17(15-11-7-8-12-16(15)19-13)18(20)14-9-5-3-2-4-6-10-14/h7-8,11-12,14,19H,2-6,9-10H2,1H3
InChIKeyDTLSOXUXKQVLIM-UHFFFAOYSA-N
XLogP5.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272785
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82305589
(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 104518020
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 8019458
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
CID 170645728
CID 170645728
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of cyclooctyl-(2-methyl-1H-indol-3-yl)methanone (CID 65018781) is cyclooctyl-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for cyclooctyl-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for cyclooctyl-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is DTLSOXUXKQVLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-17(15-11-7-8-12-16(15)19-13)18(20)14-9-5-3-2-4-6-10-14/h7-8,11-12,14,19H,2-6,9-10H2,1H3.
What are the key properties of cyclooctyl-(2-methyl-1H-indol-3-yl)methanone?
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 269.39 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 65018781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).