5H-phenanthridin-6-one

C13H9NO — CID 1853

IUPAC5H-phenanthridin-6-one
SMILESO=c1[nH]c2ccccc2c2ccccc12
InChIInChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKeyRZFVLEJOHSLEFR-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.68
Rot. Bonds

About 5H-phenanthridin-6-one

5H-phenanthridin-6-one (PubChem CID 1853) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 5H-phenanthridin-6-one.

Molecular Properties

Compound Name5H-phenanthridin-6-one
PubChem CID1853
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name5H-phenanthridin-6-one
SMILESO=c1[nH]c2ccccc2c2ccccc12
InChIInChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKeyRZFVLEJOHSLEFR-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5H-phenanthridin-6-one?
The IUPAC name of 5H-phenanthridin-6-one (CID 1853) is 5H-phenanthridin-6-one.
What is the SMILES notation for 5H-phenanthridin-6-one?
The canonical SMILES for 5H-phenanthridin-6-one is O=c1[nH]c2ccccc2c2ccccc12.
What is the InChIKey of 5H-phenanthridin-6-one?
The InChIKey is RZFVLEJOHSLEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15).
What are the key properties of 5H-phenanthridin-6-one?
5H-phenanthridin-6-one has a molecular weight of 195.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-phenanthridin-6-one is sourced from PubChem (CID 1853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).