2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one

C18H27NO — CID 63464626

IUPAC2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1C1(C)CCCCC1)CC(C)(C)CC2=O
InChIInChI=1S/C18H27NO/c1-13-10-14-15(11-17(2,3)12-16(14)20)19(13)18(4)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3
InChIKeyKZZJUFGCFSWPLU-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.63
Rot. Bonds1

About 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one

2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one (PubChem CID 63464626) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one
PubChem CID63464626
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1C1(C)CCCCC1)CC(C)(C)CC2=O
InChIInChI=1S/C18H27NO/c1-13-10-14-15(11-17(2,3)12-16(14)20)19(13)18(4)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3
InChIKeyKZZJUFGCFSWPLU-UHFFFAOYSA-N
XLogP4.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one (CID 63464626) is 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one is Cc1cc2c(n1C1(C)CCCCC1)CC(C)(C)CC2=O.
What is the InChIKey of 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one?
The InChIKey is KZZJUFGCFSWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-10-14-15(11-17(2,3)12-16(14)20)19(13)18(4)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one has a molecular weight of 273.42 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 63464626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).