1-(1,10-phenanthrolin-5-yl)propan-2-one

C15H12N2O — CID 57096123

IUPAC1-(1,10-phenanthrolin-5-yl)propan-2-one
SMILESCC(=O)Cc1cc2cccnc2c2ncccc12
InChIInChI=1S/C15H12N2O/c1-10(18)8-12-9-11-4-2-6-16-14(11)15-13(12)5-3-7-17-15/h2-7,9H,8H2,1H3
InChIKeyZSWYAGXHGZIOHV-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.91
Rot. Bonds2

About 1-(1,10-phenanthrolin-5-yl)propan-2-one

1-(1,10-phenanthrolin-5-yl)propan-2-one (PubChem CID 57096123) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1,10-phenanthrolin-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,10-phenanthrolin-5-yl)propan-2-one
PubChem CID57096123
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(1,10-phenanthrolin-5-yl)propan-2-one
SMILESCC(=O)Cc1cc2cccnc2c2ncccc12
InChIInChI=1S/C15H12N2O/c1-10(18)8-12-9-11-4-2-6-16-14(11)15-13(12)5-3-7-17-15/h2-7,9H,8H2,1H3
InChIKeyZSWYAGXHGZIOHV-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)
CID 175823591
[2-hydroxy-3-(1,10-phenanthrolin-5-yloxy)propyl] acetate
CID 134939731
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
4-ethyl-2-methyl-1,10-phenanthroline
CID 71021976
1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone
CID 11593871
dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium
CID 157195176
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
5-[bis(1,10-phenanthrolin-5-yl)phosphoryl]-1,10-phenanthroline
CID 88535892
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
2-pyren-4-yl-N-quinolin-8-ylacetamide
CID 52934707

Frequently Asked Questions

What is the IUPAC name of 1-(1,10-phenanthrolin-5-yl)propan-2-one?
The IUPAC name of 1-(1,10-phenanthrolin-5-yl)propan-2-one (CID 57096123) is 1-(1,10-phenanthrolin-5-yl)propan-2-one.
What is the SMILES notation for 1-(1,10-phenanthrolin-5-yl)propan-2-one?
The canonical SMILES for 1-(1,10-phenanthrolin-5-yl)propan-2-one is CC(=O)Cc1cc2cccnc2c2ncccc12.
What is the InChIKey of 1-(1,10-phenanthrolin-5-yl)propan-2-one?
The InChIKey is ZSWYAGXHGZIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10(18)8-12-9-11-4-2-6-16-14(11)15-13(12)5-3-7-17-15/h2-7,9H,8H2,1H3.
What are the key properties of 1-(1,10-phenanthrolin-5-yl)propan-2-one?
1-(1,10-phenanthrolin-5-yl)propan-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.91, 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-5-yl)propan-2-one is sourced from PubChem (CID 57096123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).