1,9-diacetyl-2-aminophenoxazin-3-one

C16H12N2O4 — CID 13181342

IUPAC1,9-diacetyl-2-aminophenoxazin-3-one
SMILESCC(=O)c1c2nc3c(C(C)=O)cccc3oc-2cc(=O)c1N
InChIInChI=1S/C16H12N2O4/c1-7(19)9-4-3-5-11-15(9)18-16-12(22-11)6-10(21)14(17)13(16)8(2)20/h3-6H,17H2,1-2H3
InChIKeyPIVVPJLTQXEBRS-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.28
Rot. Bonds2

About 1,9-diacetyl-2-aminophenoxazin-3-one

1,9-diacetyl-2-aminophenoxazin-3-one (PubChem CID 13181342) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1,9-diacetyl-2-aminophenoxazin-3-one.

Molecular Properties

Compound Name1,9-diacetyl-2-aminophenoxazin-3-one
PubChem CID13181342
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name1,9-diacetyl-2-aminophenoxazin-3-one
SMILESCC(=O)c1c2nc3c(C(C)=O)cccc3oc-2cc(=O)c1N
InChIInChI=1S/C16H12N2O4/c1-7(19)9-4-3-5-11-15(9)18-16-12(22-11)6-10(21)14(17)13(16)8(2)20/h3-6H,17H2,1-2H3
InChIKeyPIVVPJLTQXEBRS-UHFFFAOYSA-N
XLogP2.28
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,9-diacetyl-2-aminophenoxazin-3-one?
The IUPAC name of 1,9-diacetyl-2-aminophenoxazin-3-one (CID 13181342) is 1,9-diacetyl-2-aminophenoxazin-3-one.
What is the SMILES notation for 1,9-diacetyl-2-aminophenoxazin-3-one?
The canonical SMILES for 1,9-diacetyl-2-aminophenoxazin-3-one is CC(=O)c1c2nc3c(C(C)=O)cccc3oc-2cc(=O)c1N.
What is the InChIKey of 1,9-diacetyl-2-aminophenoxazin-3-one?
The InChIKey is PIVVPJLTQXEBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-7(19)9-4-3-5-11-15(9)18-16-12(22-11)6-10(21)14(17)13(16)8(2)20/h3-6H,17H2,1-2H3.
What are the key properties of 1,9-diacetyl-2-aminophenoxazin-3-one?
1,9-diacetyl-2-aminophenoxazin-3-one has a molecular weight of 296.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diacetyl-2-aminophenoxazin-3-one is sourced from PubChem (CID 13181342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).