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

C19H31NO — CID 63466053

IUPAC2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1C(C)CCCC(C)C)CC(C)(C)CC2=O
InChIInChI=1S/C19H31NO/c1-13(2)8-7-9-14(3)20-15(4)10-16-17(20)11-19(5,6)12-18(16)21/h10,13-14H,7-9,11-12H2,1-6H3
InChIKeySAECVUVCFNVBOU-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.34
Rot. Bonds5

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

2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one (PubChem CID 63466053) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one
PubChem CID63466053
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1C(C)CCCC(C)C)CC(C)(C)CC2=O
InChIInChI=1S/C19H31NO/c1-13(2)8-7-9-14(3)20-15(4)10-16-17(20)11-19(5,6)12-18(16)21/h10,13-14H,7-9,11-12H2,1-6H3
InChIKeySAECVUVCFNVBOU-UHFFFAOYSA-N
XLogP5.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexan-3-yl-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63466591
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
CID 63925944
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63464666
2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
CID 63464793
2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 62848113
1-(2-ethoxy-2-methylpropyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 114944020
2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 79071235
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
1-(3-bromo-5-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107577908

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one (CID 63466053) is 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one is Cc1cc2c(n1C(C)CCCC(C)C)CC(C)(C)CC2=O.
What is the InChIKey of 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one?
The InChIKey is SAECVUVCFNVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)8-7-9-14(3)20-15(4)10-16-17(20)11-19(5,6)12-18(16)21/h10,13-14H,7-9,11-12H2,1-6H3.
What are the key properties of 2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one has a molecular weight of 289.46 g/mol, XLogP of 5.34, 5 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-(6-methylheptan-2-yl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 63466053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).