1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone

C15H12N2O — CID 11593871

IUPAC1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone
SMILESCC(=O)c1cc2ccc3cccnc3c2nc1C
InChIInChI=1S/C15H12N2O/c1-9-13(10(2)18)8-12-6-5-11-4-3-7-16-14(11)15(12)17-9/h3-8H,1-2H3
InChIKeySOGRCVSMIHLTPG-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.29
Rot. Bonds1

About 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone

1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone (PubChem CID 11593871) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone
PubChem CID11593871
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone
SMILESCC(=O)c1cc2ccc3cccnc3c2nc1C
InChIInChI=1S/C15H12N2O/c1-9-13(10(2)18)8-12-6-5-11-4-3-7-16-14(11)15(12)17-9/h3-8H,1-2H3
InChIKeySOGRCVSMIHLTPG-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.29
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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Related Compounds

1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)
CID 175823591
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
1-(1,10-phenanthrolin-5-yl)propan-2-one
CID 57096123
4,6-bis(1,10-phenanthrolin-2-yl)benzene-1,3-dicarboxylic acid
CID 118448774
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone (CID 11593871) is 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone is CC(=O)c1cc2ccc3cccnc3c2nc1C.
What is the InChIKey of 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone?
The InChIKey is SOGRCVSMIHLTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-9-13(10(2)18)8-12-6-5-11-4-3-7-16-14(11)15(12)17-9/h3-8H,1-2H3.
What are the key properties of 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone?
1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone is sourced from PubChem (CID 11593871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).