benzo[a]phenoxazin-5-one

C16H9NO2 — CID 12683731

IUPACbenzo[a]phenoxazin-5-one
SMILESO=c1cc2oc3ccccc3nc-2c2ccccc12
InChIInChI=1S/C16H9NO2/c18-13-9-15-16(11-6-2-1-5-10(11)13)17-12-7-3-4-8-14(12)19-15/h1-9H
InChIKeyLXARMRGJFVAFPR-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.45
Rot. Bonds

About benzo[a]phenoxazin-5-one

benzo[a]phenoxazin-5-one (PubChem CID 12683731) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is benzo[a]phenoxazin-5-one.

Molecular Properties

Compound Namebenzo[a]phenoxazin-5-one
PubChem CID12683731
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Namebenzo[a]phenoxazin-5-one
SMILESO=c1cc2oc3ccccc3nc-2c2ccccc12
InChIInChI=1S/C16H9NO2/c18-13-9-15-16(11-6-2-1-5-10(11)13)17-12-7-3-4-8-14(12)19-15/h1-9H
InChIKeyLXARMRGJFVAFPR-UHFFFAOYSA-N
XLogP3.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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 benzo[a]phenoxazin-5-one?
The IUPAC name of benzo[a]phenoxazin-5-one (CID 12683731) is benzo[a]phenoxazin-5-one.
What is the SMILES notation for benzo[a]phenoxazin-5-one?
The canonical SMILES for benzo[a]phenoxazin-5-one is O=c1cc2oc3ccccc3nc-2c2ccccc12.
What is the InChIKey of benzo[a]phenoxazin-5-one?
The InChIKey is LXARMRGJFVAFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-13-9-15-16(11-6-2-1-5-10(11)13)17-12-7-3-4-8-14(12)19-15/h1-9H.
What are the key properties of benzo[a]phenoxazin-5-one?
benzo[a]phenoxazin-5-one has a molecular weight of 247.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]phenoxazin-5-one is sourced from PubChem (CID 12683731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).