(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

C10H13NO2 — CID 7157331

IUPAC(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESC[C@H]1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
InChIKeyIBRKLUSXDYATLG-ZCFIWIBFSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds

About (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (PubChem CID 7157331) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol.

Molecular Properties

Compound Name(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID7157331
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESC[C@H]1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
InChIKeyIBRKLUSXDYATLG-ZCFIWIBFSA-N
XLogP1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
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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Related Compounds

Dobutamine
CID 36811
Higenamine
CID 114840
Epinine
CID 4382
Tetrahydropapaveroline
CID 18519
(RS)-Salsolinol
CID 54456
(R)-Coclaurine
CID 440989
(-)-Higenamine
CID 440927
Salsolinol
CID 91588
Dihydrexidine
CID 5311070
6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline
CID 36937
Salsolidine
CID 164752
(S)-Norlaudanosoline
CID 439845

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The IUPAC name of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CID 7157331) is (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
What is the SMILES notation for (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The canonical SMILES for (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is C[C@H]1NCCc2cc(O)c(O)cc21.
What is the InChIKey of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The InChIKey is IBRKLUSXDYATLG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol has a molecular weight of 179.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is sourced from PubChem (CID 7157331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).