cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone

C17H23NO — CID 20793215

IUPACcyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc2c(c1)CC(C)N2C(=O)C1CCCCC1
InChIInChI=1S/C17H23NO/c1-12-8-9-16-15(10-12)11-13(2)18(16)17(19)14-6-4-3-5-7-14/h8-10,13-14H,3-7,11H2,1-2H3
InChIKeyNZEZOQPOUQCSEU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.85
Rot. Bonds1

About cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone

cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 20793215) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
PubChem CID20793215
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Namecyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc2c(c1)CC(C)N2C(=O)C1CCCCC1
InChIInChI=1S/C17H23NO/c1-12-8-9-16-15(10-12)11-13(2)18(16)17(19)14-6-4-3-5-7-14/h8-10,13-14H,3-7,11H2,1-2H3
InChIKeyNZEZOQPOUQCSEU-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
[5-(2-bromobutyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259316
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911710
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
[(2R)-5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 93178240
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 46276287
[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125047542

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone (CID 20793215) is cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone is Cc1ccc2c(c1)CC(C)N2C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NZEZOQPOUQCSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-8-9-16-15(10-12)11-13(2)18(16)17(19)14-6-4-3-5-7-14/h8-10,13-14H,3-7,11H2,1-2H3.
What are the key properties of cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone?
cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 257.38 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 20793215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).