1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one

C10H12N2O2 — CID 137197355

IUPAC1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one
SMILESC/N=C1\CCCc2cc(=O)[nH]c(O)c21
InChIInChI=1S/C10H12N2O2/c1-11-7-4-2-3-6-5-8(13)12-10(14)9(6)7/h5H,2-4H2,1H3,(H2,12,13,14)/b11-7+
InChIKeyZHXVQWOEMJYLNT-YRNVUSSQSA-N
MW192.22 g/mol
LogP0.84
Rot. Bonds

About 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one

1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one (PubChem CID 137197355) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one
PubChem CID137197355
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one
SMILESC/N=C1\CCCc2cc(=O)[nH]c(O)c21
InChIInChI=1S/C10H12N2O2/c1-11-7-4-2-3-6-5-8(13)12-10(14)9(6)7/h5H,2-4H2,1H3,(H2,12,13,14)/b11-7+
InChIKeyZHXVQWOEMJYLNT-YRNVUSSQSA-N
XLogP0.84
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one?
The IUPAC name of 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one (CID 137197355) is 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one?
The canonical SMILES for 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one is C/N=C1\CCCc2cc(=O)[nH]c(O)c21.
What is the InChIKey of 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one?
The InChIKey is ZHXVQWOEMJYLNT-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11-7-4-2-3-6-5-8(13)12-10(14)9(6)7/h5H,2-4H2,1H3,(H2,12,13,14)/b11-7+.
What are the key properties of 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one?
1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-methylimino-2,5,6,7-tetrahydroisoquinolin-3-one is sourced from PubChem (CID 137197355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).