1-(1,10-phenanthrolin-2-yl)ethanone

C14H10N2O — CID 11521417

IUPAC1-(1,10-phenanthrolin-2-yl)ethanone
SMILESCC(=O)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C14H10N2O/c1-9(17)12-7-6-11-5-4-10-3-2-8-15-13(10)14(11)16-12/h2-8H,1H3
InChIKeyIWYAYHRXSODVBC-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.99
Rot. Bonds1

About 1-(1,10-phenanthrolin-2-yl)ethanone

1-(1,10-phenanthrolin-2-yl)ethanone (PubChem CID 11521417) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(1,10-phenanthrolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,10-phenanthrolin-2-yl)ethanone
PubChem CID11521417
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name1-(1,10-phenanthrolin-2-yl)ethanone
SMILESCC(=O)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C14H10N2O/c1-9(17)12-7-6-11-5-4-10-3-2-8-15-13(10)14(11)16-12/h2-8H,1H3
InChIKeyIWYAYHRXSODVBC-UHFFFAOYSA-N
XLogP2.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(1,10-phenanthrolin-2-yl)ethanone?
The IUPAC name of 1-(1,10-phenanthrolin-2-yl)ethanone (CID 11521417) is 1-(1,10-phenanthrolin-2-yl)ethanone.
What is the SMILES notation for 1-(1,10-phenanthrolin-2-yl)ethanone?
The canonical SMILES for 1-(1,10-phenanthrolin-2-yl)ethanone is CC(=O)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 1-(1,10-phenanthrolin-2-yl)ethanone?
The InChIKey is IWYAYHRXSODVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-9(17)12-7-6-11-5-4-10-3-2-8-15-13(10)14(11)16-12/h2-8H,1H3.
What are the key properties of 1-(1,10-phenanthrolin-2-yl)ethanone?
1-(1,10-phenanthrolin-2-yl)ethanone has a molecular weight of 222.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,10-phenanthrolin-2-yl)ethanone is sourced from PubChem (CID 11521417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).