2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol

C17H28N2O — CID 62640256

IUPAC2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCN1CCCC1)CC(C)(C)CC2O
InChIInChI=1S/C17H28N2O/c1-13-10-14-15(11-17(2,3)12-16(14)20)19(13)9-8-18-6-4-5-7-18/h10,16,20H,4-9,11-12H2,1-3H3
InChIKeyROZULCHCELRHCL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds3

About 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol (PubChem CID 62640256) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
PubChem CID62640256
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCN1CCCC1)CC(C)(C)CC2O
InChIInChI=1S/C17H28N2O/c1-13-10-14-15(11-17(2,3)12-16(14)20)19(13)9-8-18-6-4-5-7-18/h10,16,20H,4-9,11-12H2,1-3H3
InChIKeyROZULCHCELRHCL-UHFFFAOYSA-N
XLogP2.90
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 63826731
2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 64529978
1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107817926
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62132538
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

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol (CID 62640256) is 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CCN1CCCC1)CC(C)(C)CC2O.
What is the InChIKey of 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol?
The InChIKey is ROZULCHCELRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-14-15(11-17(2,3)12-16(14)20)19(13)9-8-18-6-4-5-7-18/h10,16,20H,4-9,11-12H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol has a molecular weight of 276.42 g/mol, XLogP of 2.90, 3 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-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 62640256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).