ethanol;1,10-phenanthroline-5,6-dione

C14H12N2O3 — CID 139086549

IUPACethanol;1,10-phenanthroline-5,6-dione
SMILESCCO.O=C1C(=O)c2cccnc2-c2ncccc21
InChIInChI=1S/C12H6N2O2.C2H6O/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3/h1-6H;3H,2H2,1H3
InChIKeyJRNCIJPXYWVJFC-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.52
Rot. Bonds

About ethanol;1,10-phenanthroline-5,6-dione

ethanol;1,10-phenanthroline-5,6-dione (PubChem CID 139086549) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethanol;1,10-phenanthroline-5,6-dione.

Molecular Properties

Compound Nameethanol;1,10-phenanthroline-5,6-dione
PubChem CID139086549
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Nameethanol;1,10-phenanthroline-5,6-dione
SMILESCCO.O=C1C(=O)c2cccnc2-c2ncccc21
InChIInChI=1S/C12H6N2O2.C2H6O/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3/h1-6H;3H,2H2,1H3
InChIKeyJRNCIJPXYWVJFC-UHFFFAOYSA-N
XLogP1.52
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4,7-Phenanthroline-5,6-dione
CID 6764
1,10-Phenanthroline-5,6-dione
CID 72810
Ethanedione, di-3-pyridinyl-
CID 260384
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
5(6H)-Quinolinone, 7,8-dihydro-
CID 3016811
Benzo(h)quinoline-5,6-dione
CID 163098
1,10-Phenanthrolin-4-ol
CID 3735617
5H-Quino[6,8-ij][2,7]naphthridin-5-one
CID 388734
4-Methylbenzo(g)quinoline-5,10-dione
CID 457732
1-(Quinolin-3-yl)ethan-1-one
CID 5325612
9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748019
9-Chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
CID 10199066

Frequently Asked Questions

What is the IUPAC name of ethanol;1,10-phenanthroline-5,6-dione?
The IUPAC name of ethanol;1,10-phenanthroline-5,6-dione (CID 139086549) is ethanol;1,10-phenanthroline-5,6-dione.
What is the SMILES notation for ethanol;1,10-phenanthroline-5,6-dione?
The canonical SMILES for ethanol;1,10-phenanthroline-5,6-dione is CCO.O=C1C(=O)c2cccnc2-c2ncccc21.
What is the InChIKey of ethanol;1,10-phenanthroline-5,6-dione?
The InChIKey is JRNCIJPXYWVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2.C2H6O/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3/h1-6H;3H,2H2,1H3.
What are the key properties of ethanol;1,10-phenanthroline-5,6-dione?
ethanol;1,10-phenanthroline-5,6-dione has a molecular weight of 256.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1,10-phenanthroline-5,6-dione is sourced from PubChem (CID 139086549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).