9-acetylphenoxazin-3-one

C14H9NO3 — CID 21074451

IUPAC9-acetylphenoxazin-3-one
SMILESCC(=O)c1cccc2oc3cc(=O)ccc-3nc12
InChIInChI=1S/C14H9NO3/c1-8(16)10-3-2-4-12-14(10)15-11-6-5-9(17)7-13(11)18-12/h2-7H,1H3
InChIKeyXNNWFLWMHPDNGS-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.50
Rot. Bonds1

About 9-acetylphenoxazin-3-one

9-acetylphenoxazin-3-one (PubChem CID 21074451) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 9-acetylphenoxazin-3-one.

Molecular Properties

Compound Name9-acetylphenoxazin-3-one
PubChem CID21074451
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name9-acetylphenoxazin-3-one
SMILESCC(=O)c1cccc2oc3cc(=O)ccc-3nc12
InChIInChI=1S/C14H9NO3/c1-8(16)10-3-2-4-12-14(10)15-11-6-5-9(17)7-13(11)18-12/h2-7H,1H3
InChIKeyXNNWFLWMHPDNGS-UHFFFAOYSA-N
XLogP2.50
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 385047
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CID 12210169
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CID 13181341
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CID 44401576
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CID 71718015
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Frequently Asked Questions

What is the IUPAC name of 9-acetylphenoxazin-3-one?
The IUPAC name of 9-acetylphenoxazin-3-one (CID 21074451) is 9-acetylphenoxazin-3-one.
What is the SMILES notation for 9-acetylphenoxazin-3-one?
The canonical SMILES for 9-acetylphenoxazin-3-one is CC(=O)c1cccc2oc3cc(=O)ccc-3nc12.
What is the InChIKey of 9-acetylphenoxazin-3-one?
The InChIKey is XNNWFLWMHPDNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c1-8(16)10-3-2-4-12-14(10)15-11-6-5-9(17)7-13(11)18-12/h2-7H,1H3.
What are the key properties of 9-acetylphenoxazin-3-one?
9-acetylphenoxazin-3-one has a molecular weight of 239.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetylphenoxazin-3-one is sourced from PubChem (CID 21074451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).