1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one

C17H27NO — CID 63466591

IUPAC1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCCCC(CC)n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-6-8-13(7-2)18-12(3)9-14-15(18)10-17(4,5)11-16(14)19/h9,13H,6-8,10-11H2,1-5H3
InChIKeyPDAABUITYJITCL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.70
Rot. Bonds4

About 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one

1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 63466591) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID63466591
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCCCC(CC)n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H27NO/c1-6-8-13(7-2)18-12(3)9-14-15(18)10-17(4,5)11-16(14)19/h9,13H,6-8,10-11H2,1-5H3
InChIKeyPDAABUITYJITCL-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one
CID 63466053
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
1-(2-ethoxy-2-methylpropyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 114944020
2,6,6-trimethyl-1-(1-methylcyclohexyl)-5,7-dihydroindol-4-one
CID 63464626
1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267575
1-(3-ethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63465689
2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one
CID 107649034
2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
CID 63464793
1-hexan-3-yl-2,5-dimethylpyrrole-3-carbaldehyde
CID 62118767
2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 62848113
1-[2-(5-bromothiophen-2-yl)ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 106039237
2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 79071235

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 63466591) is 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one is CCCC(CC)n1c(C)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is PDAABUITYJITCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-8-13(7-2)18-12(3)9-14-15(18)10-17(4,5)11-16(14)19/h9,13H,6-8,10-11H2,1-5H3.
What are the key properties of 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 261.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).