4-iminonaphthalene-1,2-dione

C10H7NO2 — CID 6993240

IUPAC4-iminonaphthalene-1,2-dione
SMILES[H]/N=C1\CC(=O)C(=O)c2ccccc21
InChIInChI=1S/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,11H,5H2/b11-8+
InChIKeyWPKNMFXTJCFUBI-DHZHZOJOSA-N
MW173.17 g/mol
LogP1.21
Rot. Bonds

About 4-iminonaphthalene-1,2-dione

4-iminonaphthalene-1,2-dione (PubChem CID 6993240) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-iminonaphthalene-1,2-dione.

Molecular Properties

Compound Name4-iminonaphthalene-1,2-dione
PubChem CID6993240
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name4-iminonaphthalene-1,2-dione
SMILES[H]/N=C1\CC(=O)C(=O)c2ccccc21
InChIInChI=1S/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,11H,5H2/b11-8+
InChIKeyWPKNMFXTJCFUBI-DHZHZOJOSA-N
XLogP1.21
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iminonaphthalene-1,2-dione?
The IUPAC name of 4-iminonaphthalene-1,2-dione (CID 6993240) is 4-iminonaphthalene-1,2-dione.
What is the SMILES notation for 4-iminonaphthalene-1,2-dione?
The canonical SMILES for 4-iminonaphthalene-1,2-dione is [H]/N=C1\CC(=O)C(=O)c2ccccc21.
What is the InChIKey of 4-iminonaphthalene-1,2-dione?
The InChIKey is WPKNMFXTJCFUBI-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,11H,5H2/b11-8+.
What are the key properties of 4-iminonaphthalene-1,2-dione?
4-iminonaphthalene-1,2-dione has a molecular weight of 173.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminonaphthalene-1,2-dione is sourced from PubChem (CID 6993240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).