4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one

C15H22N2O2 — CID 106188086

IUPAC4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
SMILESCc1cc2c(n1C1CNC(=O)C1)CC(C)(C)CC2O
InChIInChI=1S/C15H22N2O2/c1-9-4-11-12(6-15(2,3)7-13(11)18)17(9)10-5-14(19)16-8-10/h4,10,13,18H,5-8H2,1-3H3,(H,16,19)
InChIKeyIKTUUPNNTHESNB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds1

About 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one

4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one (PubChem CID 106188086) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
PubChem CID106188086
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
SMILESCc1cc2c(n1C1CNC(=O)C1)CC(C)(C)CC2O
InChIInChI=1S/C15H22N2O2/c1-9-4-11-12(6-15(2,3)7-13(11)18)17(9)10-5-14(19)16-8-10/h4,10,13,18H,5-8H2,1-3H3,(H,16,19)
InChIKeyIKTUUPNNTHESNB-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one (CID 106188086) is 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one is Cc1cc2c(n1C1CNC(=O)C1)CC(C)(C)CC2O.
What is the InChIKey of 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
The InChIKey is IKTUUPNNTHESNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-4-11-12(6-15(2,3)7-13(11)18)17(9)10-5-14(19)16-8-10/h4,10,13,18H,5-8H2,1-3H3,(H,16,19).
What are the key properties of 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 106188086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).