6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one

C13H15NO2 — CID 70224914

IUPAC6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one
SMILESC=Cc1ccc2c(c1)CC(=O)N(CCO)C2
InChIInChI=1S/C13H15NO2/c1-2-10-3-4-11-9-14(5-6-15)13(16)8-12(11)7-10/h2-4,7,15H,1,5-6,8-9H2
InChIKeyLRIDKEBNZRCXOT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.21
Rot. Bonds3

About 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one

6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one (PubChem CID 70224914) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one
PubChem CID70224914
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one
SMILESC=Cc1ccc2c(c1)CC(=O)N(CCO)C2
InChIInChI=1S/C13H15NO2/c1-2-10-3-4-11-9-14(5-6-15)13(16)8-12(11)7-10/h2-4,7,15H,1,5-6,8-9H2
InChIKeyLRIDKEBNZRCXOT-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one (CID 70224914) is 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one is C=Cc1ccc2c(c1)CC(=O)N(CCO)C2.
What is the InChIKey of 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one?
The InChIKey is LRIDKEBNZRCXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-10-3-4-11-9-14(5-6-15)13(16)8-12(11)7-10/h2-4,7,15H,1,5-6,8-9H2.
What are the key properties of 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one?
6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 70224914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).