6-aminobenzo[e]perimidin-7-one

C15H9N3O — CID 906459

IUPAC6-aminobenzo[e]perimidin-7-one
SMILESNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C15H9N3O/c16-10-5-6-11-13-12(10)15(19)9-4-2-1-3-8(9)14(13)18-7-17-11/h1-7H,16H2
InChIKeyUAWKAJMVJJHNNE-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.42
Rot. Bonds

About 6-aminobenzo[e]perimidin-7-one

6-aminobenzo[e]perimidin-7-one (PubChem CID 906459) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-aminobenzo[e]perimidin-7-one.

Molecular Properties

Compound Name6-aminobenzo[e]perimidin-7-one
PubChem CID906459
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name6-aminobenzo[e]perimidin-7-one
SMILESNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C15H9N3O/c16-10-5-6-11-13-12(10)15(19)9-4-2-1-3-8(9)14(13)18-7-17-11/h1-7H,16H2
InChIKeyUAWKAJMVJJHNNE-UHFFFAOYSA-N
XLogP2.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminobenzo[e]perimidin-7-one?
The IUPAC name of 6-aminobenzo[e]perimidin-7-one (CID 906459) is 6-aminobenzo[e]perimidin-7-one.
What is the SMILES notation for 6-aminobenzo[e]perimidin-7-one?
The canonical SMILES for 6-aminobenzo[e]perimidin-7-one is Nc1ccc2ncnc3c2c1C(=O)c1ccccc1-3.
What is the InChIKey of 6-aminobenzo[e]perimidin-7-one?
The InChIKey is UAWKAJMVJJHNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-10-5-6-11-13-12(10)15(19)9-4-2-1-3-8(9)14(13)18-7-17-11/h1-7H,16H2.
What are the key properties of 6-aminobenzo[e]perimidin-7-one?
6-aminobenzo[e]perimidin-7-one has a molecular weight of 247.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminobenzo[e]perimidin-7-one is sourced from PubChem (CID 906459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).