1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one

C17H27NO — CID 65039119

IUPAC1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCCC(CC)(CC)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-6-17(7-2,8-3)18-10-9-13-14(18)11-16(4,5)12-15(13)19/h9-10H,6-8,11-12H2,1-5H3
InChIKeyLDYDLQVXBIIQLL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.57
Rot. Bonds4

About 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 65039119) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID65039119
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCCC(CC)(CC)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-6-17(7-2,8-3)18-10-9-13-14(18)11-16(4,5)12-15(13)19/h9-10H,6-8,11-12H2,1-5H3
InChIKeyLDYDLQVXBIIQLL-UHFFFAOYSA-N
XLogP4.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
CID 63925944
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63466947
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
1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 62359808
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
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
1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63563385

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 65039119) is 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one is CCC(CC)(CC)n1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is LDYDLQVXBIIQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-17(7-2,8-3)18-10-9-13-14(18)11-16(4,5)12-15(13)19/h9-10H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 261.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 65039119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).