5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one

C16H21NO2 — CID 20601336

IUPAC5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one
SMILESCc1cc2c(cc1C)C(C1CCC(=O)O1)N(C)CC2
InChIInChI=1S/C16H21NO2/c1-10-8-12-6-7-17(3)16(13(12)9-11(10)2)14-4-5-15(18)19-14/h8-9,14,16H,4-7H2,1-3H3
InChIKeyQSUDYYPYLXTKMJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds1

About 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one

5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one (PubChem CID 20601336) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one
PubChem CID20601336
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one
SMILESCc1cc2c(cc1C)C(C1CCC(=O)O1)N(C)CC2
InChIInChI=1S/C16H21NO2/c1-10-8-12-6-7-17(3)16(13(12)9-11(10)2)14-4-5-15(18)19-14/h8-9,14,16H,4-7H2,1-3H3
InChIKeyQSUDYYPYLXTKMJ-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one?
The IUPAC name of 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one (CID 20601336) is 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one.
What is the SMILES notation for 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one?
The canonical SMILES for 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one is Cc1cc2c(cc1C)C(C1CCC(=O)O1)N(C)CC2.
What is the InChIKey of 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one?
The InChIKey is QSUDYYPYLXTKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-8-12-6-7-17(3)16(13(12)9-11(10)2)14-4-5-15(18)19-14/h8-9,14,16H,4-7H2,1-3H3.
What are the key properties of 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one?
5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6,7-trimethyl-3,4-dihydro-1H-isoquinolin-1-yl)oxolan-2-one is sourced from PubChem (CID 20601336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).