naphtho[2,1-e]isoindole-1,3-dione

C16H9NO2 — CID 87830454

IUPACnaphtho[2,1-e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16(19)17-15/h1-8H,(H,17,18,19)
InChIKeyPIXICFMFSJMSJM-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.88
Rot. Bonds

About naphtho[2,1-e]isoindole-1,3-dione

naphtho[2,1-e]isoindole-1,3-dione (PubChem CID 87830454) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is naphtho[2,1-e]isoindole-1,3-dione.

Molecular Properties

Compound Namenaphtho[2,1-e]isoindole-1,3-dione
PubChem CID87830454
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Namenaphtho[2,1-e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16(19)17-15/h1-8H,(H,17,18,19)
InChIKeyPIXICFMFSJMSJM-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-e]isoindole-1,3-dione?
The IUPAC name of naphtho[2,1-e]isoindole-1,3-dione (CID 87830454) is naphtho[2,1-e]isoindole-1,3-dione.
What is the SMILES notation for naphtho[2,1-e]isoindole-1,3-dione?
The canonical SMILES for naphtho[2,1-e]isoindole-1,3-dione is O=C1NC(=O)c2c1ccc1c2ccc2ccccc21.
What is the InChIKey of naphtho[2,1-e]isoindole-1,3-dione?
The InChIKey is PIXICFMFSJMSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16(19)17-15/h1-8H,(H,17,18,19).
What are the key properties of naphtho[2,1-e]isoindole-1,3-dione?
naphtho[2,1-e]isoindole-1,3-dione has a molecular weight of 247.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-e]isoindole-1,3-dione is sourced from PubChem (CID 87830454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).