3H-1,10-phenanthrolin-4-one

C12H8N2O — CID 21250114

IUPAC3H-1,10-phenanthrolin-4-one
SMILESO=C1CC=Nc2c1ccc1cccnc21
InChIInChI=1S/C12H8N2O/c15-10-5-7-14-12-9(10)4-3-8-2-1-6-13-11(8)12/h1-4,6-7H,5H2
InChIKeyPSBOMJUFAJVWQH-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.52
Rot. Bonds

About 3H-1,10-phenanthrolin-4-one

3H-1,10-phenanthrolin-4-one (PubChem CID 21250114) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3H-1,10-phenanthrolin-4-one.

Molecular Properties

Compound Name3H-1,10-phenanthrolin-4-one
PubChem CID21250114
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name3H-1,10-phenanthrolin-4-one
SMILESO=C1CC=Nc2c1ccc1cccnc21
InChIInChI=1S/C12H8N2O/c15-10-5-7-14-12-9(10)4-3-8-2-1-6-13-11(8)12/h1-4,6-7H,5H2
InChIKeyPSBOMJUFAJVWQH-UHFFFAOYSA-N
XLogP2.52
TPSA42.32 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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-1,10-phenanthrolin-4-one?
The IUPAC name of 3H-1,10-phenanthrolin-4-one (CID 21250114) is 3H-1,10-phenanthrolin-4-one.
What is the SMILES notation for 3H-1,10-phenanthrolin-4-one?
The canonical SMILES for 3H-1,10-phenanthrolin-4-one is O=C1CC=Nc2c1ccc1cccnc21.
What is the InChIKey of 3H-1,10-phenanthrolin-4-one?
The InChIKey is PSBOMJUFAJVWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-10-5-7-14-12-9(10)4-3-8-2-1-6-13-11(8)12/h1-4,6-7H,5H2.
What are the key properties of 3H-1,10-phenanthrolin-4-one?
3H-1,10-phenanthrolin-4-one has a molecular weight of 196.21 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,10-phenanthrolin-4-one is sourced from PubChem (CID 21250114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).