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

C12H8N2O — CID 3735617

IUPAC1H-1,10-phenanthrolin-4-one
SMILESO=c1cc[nH]c2c1ccc1cccnc12
InChIInChI=1S/C12H8N2O/c15-10-5-7-14-12-9(10)4-3-8-2-1-6-13-11(8)12/h1-7H,(H,14,15)
InChIKeyIZYBEGHUZQSYII-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

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

1H-1,10-phenanthrolin-4-one (PubChem CID 3735617) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1H-1,10-phenanthrolin-4-one.

Molecular Properties

Compound Name1H-1,10-phenanthrolin-4-one
PubChem CID3735617
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name1H-1,10-phenanthrolin-4-one
SMILESO=c1cc[nH]c2c1ccc1cccnc12
InChIInChI=1S/C12H8N2O/c15-10-5-7-14-12-9(10)4-3-8-2-1-6-13-11(8)12/h1-7H,(H,14,15)
InChIKeyIZYBEGHUZQSYII-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1H-1,10-phenanthrolin-4-one?
The IUPAC name of 1H-1,10-phenanthrolin-4-one (CID 3735617) is 1H-1,10-phenanthrolin-4-one.
What is the SMILES notation for 1H-1,10-phenanthrolin-4-one?
The canonical SMILES for 1H-1,10-phenanthrolin-4-one is O=c1cc[nH]c2c1ccc1cccnc12.
What is the InChIKey of 1H-1,10-phenanthrolin-4-one?
The InChIKey is IZYBEGHUZQSYII-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/h1-7H,(H,14,15).
What are the key properties of 1H-1,10-phenanthrolin-4-one?
1H-1,10-phenanthrolin-4-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,10-phenanthrolin-4-one is sourced from PubChem (CID 3735617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).