1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one

C16H23NO2 — CID 62359808

IUPAC1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(C3CCCCC3O)c2C1
InChIInChI=1S/C16H23NO2/c1-16(2)9-13-11(15(19)10-16)7-8-17(13)12-5-3-4-6-14(12)18/h7-8,12,14,18H,3-6,9-10H2,1-2H3
InChIKeyNYIAZQPYMCHVLJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.12
Rot. Bonds1

About 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 62359808) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID62359808
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(C3CCCCC3O)c2C1
InChIInChI=1S/C16H23NO2/c1-16(2)9-13-11(15(19)10-16)7-8-17(13)12-5-3-4-6-14(12)18/h7-8,12,14,18H,3-6,9-10H2,1-2H3
InChIKeyNYIAZQPYMCHVLJ-UHFFFAOYSA-N
XLogP3.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63466947
2-(4-amino-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)cyclohexan-1-ol
CID 55064325
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
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
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
CID 63925944
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one
CID 116787757
1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465155
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 62359808) is 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(C3CCCCC3O)c2C1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is NYIAZQPYMCHVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)9-13-11(15(19)10-16)7-8-17(13)12-5-3-4-6-14(12)18/h7-8,12,14,18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 261.36 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 62359808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).