2H-phenanthridin-6-one

C13H9NO — CID 172777064

IUPAC2H-phenanthridin-6-one
SMILESO=C1N=C2C=CCC=C2c2ccccc21
InChIInChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-2,4-8H,3H2
InChIKeyNTASQBDNLBXVMJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.62
Rot. Bonds

About 2H-phenanthridin-6-one

2H-phenanthridin-6-one (PubChem CID 172777064) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-phenanthridin-6-one.

Molecular Properties

Compound Name2H-phenanthridin-6-one
PubChem CID172777064
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2H-phenanthridin-6-one
SMILESO=C1N=C2C=CCC=C2c2ccccc21
InChIInChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-2,4-8H,3H2
InChIKeyNTASQBDNLBXVMJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-phenanthridin-6-one?
The IUPAC name of 2H-phenanthridin-6-one (CID 172777064) is 2H-phenanthridin-6-one.
What is the SMILES notation for 2H-phenanthridin-6-one?
The canonical SMILES for 2H-phenanthridin-6-one is O=C1N=C2C=CCC=C2c2ccccc21.
What is the InChIKey of 2H-phenanthridin-6-one?
The InChIKey is NTASQBDNLBXVMJ-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/h1-2,4-8H,3H2.
What are the key properties of 2H-phenanthridin-6-one?
2H-phenanthridin-6-one has a molecular weight of 195.22 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-phenanthridin-6-one is sourced from PubChem (CID 172777064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).