oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol

C11H13NO5 — CID 18515811

IUPACoxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESO=C(O)C(=O)O.Oc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11NO.C2H2O4/c11-9-2-1-8-6-10-4-3-7(8)5-9;3-1(4)2(5)6/h1-2,5,10-11H,3-4,6H2;(H,3,4)(H,5,6)
InChIKeyDHXIZAXLUNSRID-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.19
Rot. Bonds

About oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol

oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 18515811) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Nameoxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID18515811
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Nameoxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESO=C(O)C(=O)O.Oc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11NO.C2H2O4/c11-9-2-1-8-6-10-4-3-7(8)5-9;3-1(4)2(5)6/h1-2,5,10-11H,3-4,6H2;(H,3,4)(H,5,6)
InChIKeyDHXIZAXLUNSRID-UHFFFAOYSA-N
XLogP0.19
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-isoindol-5-ol;methanol;yttrium
CID 166486218
tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
CID 161430493
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
CID 135337281
6-iodo-1,2,3,4-tetrahydroisoquinoline
CID 57364263
1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide
CID 91982951
2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol;dihydrobromide
CID 122156708
3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-enoic acid
CID 169460589
1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoroacetic acid
CID 67161114
bis(1,2,3,4-tetrahydroisoquinoline);bis(2,2,2-trifluoroacetic acid)
CID 171932237
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
CID 87482046
2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
CID 83826794
(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine
CID 119083202

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol (CID 18515811) is oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol is O=C(O)C(=O)O.Oc1ccc2c(c1)CCNC2.
What is the InChIKey of oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is DHXIZAXLUNSRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H2O4/c11-9-2-1-8-6-10-4-3-7(8)5-9;3-1(4)2(5)6/h1-2,5,10-11H,3-4,6H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol?
oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 239.23 g/mol, XLogP of 0.19, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 18515811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).