8-methyl-1-methylideneisoquinoline-3,4-dione

C11H9NO2 — CID 155448876

IUPAC8-methyl-1-methylideneisoquinoline-3,4-dione
SMILESC=C1NC(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C11H9NO2/c1-6-4-3-5-8-9(6)7(2)12-11(14)10(8)13/h3-5H,2H2,1H3,(H,12,14)
InChIKeyQYSQDZAPZFDNEN-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.28
Rot. Bonds

About 8-methyl-1-methylideneisoquinoline-3,4-dione

8-methyl-1-methylideneisoquinoline-3,4-dione (PubChem CID 155448876) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 8-methyl-1-methylideneisoquinoline-3,4-dione.

Molecular Properties

Compound Name8-methyl-1-methylideneisoquinoline-3,4-dione
PubChem CID155448876
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name8-methyl-1-methylideneisoquinoline-3,4-dione
SMILESC=C1NC(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C11H9NO2/c1-6-4-3-5-8-9(6)7(2)12-11(14)10(8)13/h3-5H,2H2,1H3,(H,12,14)
InChIKeyQYSQDZAPZFDNEN-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-methylideneisoquinoline-3,4-dione?
The IUPAC name of 8-methyl-1-methylideneisoquinoline-3,4-dione (CID 155448876) is 8-methyl-1-methylideneisoquinoline-3,4-dione.
What is the SMILES notation for 8-methyl-1-methylideneisoquinoline-3,4-dione?
The canonical SMILES for 8-methyl-1-methylideneisoquinoline-3,4-dione is C=C1NC(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 8-methyl-1-methylideneisoquinoline-3,4-dione?
The InChIKey is QYSQDZAPZFDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-6-4-3-5-8-9(6)7(2)12-11(14)10(8)13/h3-5H,2H2,1H3,(H,12,14).
What are the key properties of 8-methyl-1-methylideneisoquinoline-3,4-dione?
8-methyl-1-methylideneisoquinoline-3,4-dione has a molecular weight of 187.20 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-methylideneisoquinoline-3,4-dione is sourced from PubChem (CID 155448876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).