1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one

C18H27NO — CID 63466947

IUPAC1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCCC1CCC(n2ccc3c2CC(C)(C)CC3=O)CC1
InChIInChI=1S/C18H27NO/c1-4-13-5-7-14(8-6-13)19-10-9-15-16(19)11-18(2,3)12-17(15)20/h9-10,13-14H,4-8,11-12H2,1-3H3
InChIKeyMWJIXMVLBOIVHM-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.78
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 63466947) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID63466947
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCCC1CCC(n2ccc3c2CC(C)(C)CC3=O)CC1
InChIInChI=1S/C18H27NO/c1-4-13-5-7-14(8-6-13)19-10-9-15-16(19)11-18(2,3)12-17(15)20/h9-10,13-14H,4-8,11-12H2,1-3H3
InChIKeyMWJIXMVLBOIVHM-UHFFFAOYSA-N
XLogP4.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466459
1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 62359808
1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 65039119
6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
CID 55261214
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
CID 62303894
6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
CID 63925944
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63464979
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
CID 62640255

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 63466947) is 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one is CCC1CCC(n2ccc3c2CC(C)(C)CC3=O)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is MWJIXMVLBOIVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-13-5-7-14(8-6-13)19-10-9-15-16(19)11-18(2,3)12-17(15)20/h9-10,13-14H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 273.42 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63466947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).