2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione

C10H9NO3 — CID 51041691

IUPAC2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione
SMILESCC1C(=O)N(O)C(=O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-6-7-4-2-3-5-8(7)10(13)11(14)9(6)12/h2-6,14H,1H3
InChIKeyBDYZBMIBUARXIV-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.16
Rot. Bonds

About 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione

2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione (PubChem CID 51041691) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione
PubChem CID51041691
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione
SMILESCC1C(=O)N(O)C(=O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-6-7-4-2-3-5-8(7)10(13)11(14)9(6)12/h2-6,14H,1H3
InChIKeyBDYZBMIBUARXIV-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isoquinoline-1,3,4-trione
CID 10640
1,3(2H,4H)-isoquinolinedione
CID 349435
N-Hydroxynaphthalimide
CID 82263
2-methylisoquinoline-1,3,4(2H)-trione
CID 1714901
n,n-(1,8-naphthalyl)hydroxylamine sodium salt
CID 23689369
2-hydroxyisoquinoline-1,3(2H,4H)-dione
CID 514100
2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione
CID 713096
2-Methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CID 349436
2-Hydroxy-1,4-dihydroisoquinolin-3-one
CID 514101
3,3-Diethyl-3,4-dihydro-1(2H)-isoquinolinone
CID 757903
3-Ethyl-3-methyl-2,4-dihydroisoquinolin-1-one
CID 4341987
N-hexyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide
CID 57389167

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione (CID 51041691) is 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione is CC1C(=O)N(O)C(=O)c2ccccc21.
What is the InChIKey of 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione?
The InChIKey is BDYZBMIBUARXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-7-4-2-3-5-8(7)10(13)11(14)9(6)12/h2-6,14H,1H3.
What are the key properties of 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione?
2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione has a molecular weight of 191.19 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 51041691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).