6-methylidene-4,7-dihydroisoquinoline-1,3-dione

C10H9NO2 — CID 67714589

IUPAC6-methylidene-4,7-dihydroisoquinoline-1,3-dione
SMILESC=C1C=C2CC(=O)NC(=O)C2=CC1
InChIInChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(12)11-10(8)13/h3-4H,1-2,5H2,(H,11,12,13)
InChIKeyVKDDAQUUJHIOON-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.85
Rot. Bonds

About 6-methylidene-4,7-dihydroisoquinoline-1,3-dione

6-methylidene-4,7-dihydroisoquinoline-1,3-dione (PubChem CID 67714589) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-methylidene-4,7-dihydroisoquinoline-1,3-dione.

Molecular Properties

Compound Name6-methylidene-4,7-dihydroisoquinoline-1,3-dione
PubChem CID67714589
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6-methylidene-4,7-dihydroisoquinoline-1,3-dione
SMILESC=C1C=C2CC(=O)NC(=O)C2=CC1
InChIInChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(12)11-10(8)13/h3-4H,1-2,5H2,(H,11,12,13)
InChIKeyVKDDAQUUJHIOON-UHFFFAOYSA-N
XLogP0.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4,7-dihydroisoquinoline-1,3-dione?
The IUPAC name of 6-methylidene-4,7-dihydroisoquinoline-1,3-dione (CID 67714589) is 6-methylidene-4,7-dihydroisoquinoline-1,3-dione.
What is the SMILES notation for 6-methylidene-4,7-dihydroisoquinoline-1,3-dione?
The canonical SMILES for 6-methylidene-4,7-dihydroisoquinoline-1,3-dione is C=C1C=C2CC(=O)NC(=O)C2=CC1.
What is the InChIKey of 6-methylidene-4,7-dihydroisoquinoline-1,3-dione?
The InChIKey is VKDDAQUUJHIOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(12)11-10(8)13/h3-4H,1-2,5H2,(H,11,12,13).
What are the key properties of 6-methylidene-4,7-dihydroisoquinoline-1,3-dione?
6-methylidene-4,7-dihydroisoquinoline-1,3-dione has a molecular weight of 175.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4,7-dihydroisoquinoline-1,3-dione is sourced from PubChem (CID 67714589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).