1-(1,10-phenanthrolin-2-yl)propan-1-one

C15H12N2O — CID 71741494

IUPAC1-(1,10-phenanthrolin-2-yl)propan-1-one
SMILESCCC(=O)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C15H12N2O/c1-2-13(18)12-8-7-11-6-5-10-4-3-9-16-14(10)15(11)17-12/h3-9H,2H2,1H3
InChIKeyWRUYVIQMLRTNJB-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.38
Rot. Bonds2

About 1-(1,10-phenanthrolin-2-yl)propan-1-one

1-(1,10-phenanthrolin-2-yl)propan-1-one (PubChem CID 71741494) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1,10-phenanthrolin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,10-phenanthrolin-2-yl)propan-1-one
PubChem CID71741494
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(1,10-phenanthrolin-2-yl)propan-1-one
SMILESCCC(=O)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C15H12N2O/c1-2-13(18)12-8-7-11-6-5-10-4-3-9-16-14(10)15(11)17-12/h3-9H,2H2,1H3
InChIKeyWRUYVIQMLRTNJB-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.38
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

ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of 1-(1,10-phenanthrolin-2-yl)propan-1-one?
The IUPAC name of 1-(1,10-phenanthrolin-2-yl)propan-1-one (CID 71741494) is 1-(1,10-phenanthrolin-2-yl)propan-1-one.
What is the SMILES notation for 1-(1,10-phenanthrolin-2-yl)propan-1-one?
The canonical SMILES for 1-(1,10-phenanthrolin-2-yl)propan-1-one is CCC(=O)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 1-(1,10-phenanthrolin-2-yl)propan-1-one?
The InChIKey is WRUYVIQMLRTNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-13(18)12-8-7-11-6-5-10-4-3-9-16-14(10)15(11)17-12/h3-9H,2H2,1H3.
What are the key properties of 1-(1,10-phenanthrolin-2-yl)propan-1-one?
1-(1,10-phenanthrolin-2-yl)propan-1-one has a molecular weight of 236.27 g/mol, XLogP of 3.38, 2 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)propan-1-one is sourced from PubChem (CID 71741494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).