(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol

C11H15NO2 — CID 53481438

IUPAC(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol
SMILESC[C@@H]1c2ccc(O)c(O)c2CCN1C
InChIInChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyAASFZUCQPYZSBW-SSDOTTSWSA-N
MW193.25 g/mol
LogP1.65
Rot. Bonds

About (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol

(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol (PubChem CID 53481438) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol.

Molecular Properties

Compound Name(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol
PubChem CID53481438
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol
SMILESC[C@@H]1c2ccc(O)c(O)c2CCN1C
InChIInChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyAASFZUCQPYZSBW-SSDOTTSWSA-N
XLogP1.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol?
The IUPAC name of (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol (CID 53481438) is (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol.
What is the SMILES notation for (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol?
The canonical SMILES for (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol is C[C@@H]1c2ccc(O)c(O)c2CCN1C.
What is the InChIKey of (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol?
The InChIKey is AASFZUCQPYZSBW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol?
(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol has a molecular weight of 193.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol is sourced from PubChem (CID 53481438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).