6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione

C16H9NO3 — CID 127029757

IUPAC6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2ccc(-c3ccco3)c3cccc1c23
InChIInChI=1S/C16H9NO3/c18-15-11-4-1-3-10-9(13-5-2-8-20-13)6-7-12(14(10)11)16(19)17-15/h1-8H,(H,17,18,19)
InChIKeyIOEHFVQLYYATPW-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.98
Rot. Bonds1

About 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione

6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 127029757) has the molecular formula C16H9NO3 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID127029757
Molecular FormulaC16H9NO3
Molecular Weight263.25 g/mol
Exact Mass263.06
IUPAC Name6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2ccc(-c3ccco3)c3cccc1c23
InChIInChI=1S/C16H9NO3/c18-15-11-4-1-3-10-9(13-5-2-8-20-13)6-7-12(14(10)11)16(19)17-15/h1-8H,(H,17,18,19)
InChIKeyIOEHFVQLYYATPW-UHFFFAOYSA-N
XLogP2.98
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione (CID 127029757) is 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione is O=C1NC(=O)c2ccc(-c3ccco3)c3cccc1c23.
What is the InChIKey of 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is IOEHFVQLYYATPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO3/c18-15-11-4-1-3-10-9(13-5-2-8-20-13)6-7-12(14(10)11)16(19)17-15/h1-8H,(H,17,18,19).
What are the key properties of 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione?
6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 263.25 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 127029757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).