7-oxophenoxazine-3-carbaldehyde

C13H7NO3 — CID 18627781

IUPAC7-oxophenoxazine-3-carbaldehyde
SMILESO=Cc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C13H7NO3/c15-7-8-1-3-10-12(5-8)17-13-6-9(16)2-4-11(13)14-10/h1-7H
InChIKeyJSLJGDLXBHJDSI-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.11
Rot. Bonds1

About 7-oxophenoxazine-3-carbaldehyde

7-oxophenoxazine-3-carbaldehyde (PubChem CID 18627781) has the molecular formula C13H7NO3 and a molecular weight of 225.20 g/mol. Its IUPAC name is 7-oxophenoxazine-3-carbaldehyde.

Molecular Properties

Compound Name7-oxophenoxazine-3-carbaldehyde
PubChem CID18627781
Molecular FormulaC13H7NO3
Molecular Weight225.20 g/mol
Exact Mass225.04
IUPAC Name7-oxophenoxazine-3-carbaldehyde
SMILESO=Cc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C13H7NO3/c15-7-8-1-3-10-12(5-8)17-13-6-9(16)2-4-11(13)14-10/h1-7H
InChIKeyJSLJGDLXBHJDSI-UHFFFAOYSA-N
XLogP2.11
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 7-oxophenoxazine-3-carbaldehyde?
The IUPAC name of 7-oxophenoxazine-3-carbaldehyde (CID 18627781) is 7-oxophenoxazine-3-carbaldehyde.
What is the SMILES notation for 7-oxophenoxazine-3-carbaldehyde?
The canonical SMILES for 7-oxophenoxazine-3-carbaldehyde is O=Cc1ccc2nc3ccc(=O)cc-3oc2c1.
What is the InChIKey of 7-oxophenoxazine-3-carbaldehyde?
The InChIKey is JSLJGDLXBHJDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO3/c15-7-8-1-3-10-12(5-8)17-13-6-9(16)2-4-11(13)14-10/h1-7H.
What are the key properties of 7-oxophenoxazine-3-carbaldehyde?
7-oxophenoxazine-3-carbaldehyde has a molecular weight of 225.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxophenoxazine-3-carbaldehyde is sourced from PubChem (CID 18627781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).