3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one

C13H15NO2 — CID 71455999

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCc2ccccc2C1
InChIInChI=1S/C13H15NO2/c15-13-12(6-8-16-13)14-7-5-10-3-1-2-4-11(10)9-14/h1-4,12H,5-9H2
InChIKeyLHHBGPPQEHOZAG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.36
Rot. Bonds1

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one

3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one (PubChem CID 71455999) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one
PubChem CID71455999
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCc2ccccc2C1
InChIInChI=1S/C13H15NO2/c15-13-12(6-8-16-13)14-7-5-10-3-1-2-4-11(10)9-14/h1-4,12H,5-9H2
InChIKeyLHHBGPPQEHOZAG-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one (CID 71455999) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one is O=C1OCCC1N1CCc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one?
The InChIKey is LHHBGPPQEHOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-12(6-8-16-13)14-7-5-10-3-1-2-4-11(10)9-14/h1-4,12H,5-9H2.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one?
3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)oxolan-2-one is sourced from PubChem (CID 71455999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).