5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid

C11H13NO3 — CID 112715998

IUPAC5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid
SMILESCC1CCc2cnccc2C1(O)C(=O)O
InChIInChI=1S/C11H13NO3/c1-7-2-3-8-6-12-5-4-9(8)11(7,15)10(13)14/h4-7,15H,2-3H2,1H3,(H,13,14)
InChIKeyHJXRZXRBBANCOE-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.94
Rot. Bonds1

About 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid

5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid (PubChem CID 112715998) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid
PubChem CID112715998
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid
SMILESCC1CCc2cnccc2C1(O)C(=O)O
InChIInChI=1S/C11H13NO3/c1-7-2-3-8-6-12-5-4-9(8)11(7,15)10(13)14/h4-7,15H,2-3H2,1H3,(H,13,14)
InChIKeyHJXRZXRBBANCOE-UHFFFAOYSA-N
XLogP0.94
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid?
The IUPAC name of 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid (CID 112715998) is 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid is CC1CCc2cnccc2C1(O)C(=O)O.
What is the InChIKey of 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid?
The InChIKey is HJXRZXRBBANCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-2-3-8-6-12-5-4-9(8)11(7,15)10(13)14/h4-7,15H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid?
5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid is sourced from PubChem (CID 112715998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).