2H-phenazin-1-one

C12H8N2O — CID 53433128

IUPAC2H-phenazin-1-one
SMILESO=C1CC=Cc2nc3ccccc3nc21
InChIInChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-6H,7H2
InChIKeyXRBFSIULXQASEB-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.23
Rot. Bonds

About 2H-phenazin-1-one

2H-phenazin-1-one (PubChem CID 53433128) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2H-phenazin-1-one.

Molecular Properties

Compound Name2H-phenazin-1-one
PubChem CID53433128
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2H-phenazin-1-one
SMILESO=C1CC=Cc2nc3ccccc3nc21
InChIInChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-6H,7H2
InChIKeyXRBFSIULXQASEB-UHFFFAOYSA-N
XLogP2.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-phenazin-1-one?
The IUPAC name of 2H-phenazin-1-one (CID 53433128) is 2H-phenazin-1-one.
What is the SMILES notation for 2H-phenazin-1-one?
The canonical SMILES for 2H-phenazin-1-one is O=C1CC=Cc2nc3ccccc3nc21.
What is the InChIKey of 2H-phenazin-1-one?
The InChIKey is XRBFSIULXQASEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-6H,7H2.
What are the key properties of 2H-phenazin-1-one?
2H-phenazin-1-one has a molecular weight of 196.21 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-phenazin-1-one is sourced from PubChem (CID 53433128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).