2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol

C17H22N2O — CID 107586552

IUPAC2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol
SMILESCc1cncc(-n2c(C)cc3c2CC(C)(C)CC3O)c1
InChIInChI=1S/C17H22N2O/c1-11-5-13(10-18-9-11)19-12(2)6-14-15(19)7-17(3,4)8-16(14)20/h5-6,9-10,16,20H,7-8H2,1-4H3
InChIKeyMTZZFSVGCAVDHO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds1

About 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol (PubChem CID 107586552) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol
PubChem CID107586552
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol
SMILESCc1cncc(-n2c(C)cc3c2CC(C)(C)CC3O)c1
InChIInChI=1S/C17H22N2O/c1-11-5-13(10-18-9-11)19-12(2)6-14-15(19)7-17(3,4)8-16(14)20/h5-6,9-10,16,20H,7-8H2,1-4H3
InChIKeyMTZZFSVGCAVDHO-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107370388
2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
CID 116787763
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
2,6,6-trimethyl-1-pent-3-ynyl-5,7-dihydro-4H-indol-4-ol
CID 116645351
2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol
CID 62639906
1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465369
2-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)-3-methylbutanamide
CID 106347058

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol (CID 107586552) is 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol is Cc1cncc(-n2c(C)cc3c2CC(C)(C)CC3O)c1.
What is the InChIKey of 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol?
The InChIKey is MTZZFSVGCAVDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-5-13(10-18-9-11)19-12(2)6-14-15(19)7-17(3,4)8-16(14)20/h5-6,9-10,16,20H,7-8H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol has a molecular weight of 270.38 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 107586552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).