ethane;ethene;1,10-phenanthroline-2-carboxylic acid

C17H18N2O2 — CID 145372120

IUPACethane;ethene;1,10-phenanthroline-2-carboxylic acid
SMILESC=C.CC.O=C(O)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H8N2O2.C2H6.C2H4/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;2*1-2/h1-7H,(H,16,17);1-2H3;1-2H2
InChIKeyOFKINILCZAJHTJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.31
Rot. Bonds1

About ethane;ethene;1,10-phenanthroline-2-carboxylic acid

ethane;ethene;1,10-phenanthroline-2-carboxylic acid (PubChem CID 145372120) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethane;ethene;1,10-phenanthroline-2-carboxylic acid.

Molecular Properties

Compound Nameethane;ethene;1,10-phenanthroline-2-carboxylic acid
PubChem CID145372120
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethane;ethene;1,10-phenanthroline-2-carboxylic acid
SMILESC=C.CC.O=C(O)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H8N2O2.C2H6.C2H4/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;2*1-2/h1-7H,(H,16,17);1-2H3;1-2H2
InChIKeyOFKINILCZAJHTJ-UHFFFAOYSA-N
XLogP4.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
osmium;tris(1,10-phenanthroline)
CID 14251798
1,10-phenanthroline;samarium
CID 174616745
tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
quinoline-2,8-dicarboxylic acid
CID 19033995
2-carboxyquinolin-8-olate
CID 54696394

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1,10-phenanthroline-2-carboxylic acid?
The IUPAC name of ethane;ethene;1,10-phenanthroline-2-carboxylic acid (CID 145372120) is ethane;ethene;1,10-phenanthroline-2-carboxylic acid.
What is the SMILES notation for ethane;ethene;1,10-phenanthroline-2-carboxylic acid?
The canonical SMILES for ethane;ethene;1,10-phenanthroline-2-carboxylic acid is C=C.CC.O=C(O)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of ethane;ethene;1,10-phenanthroline-2-carboxylic acid?
The InChIKey is OFKINILCZAJHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2.C2H6.C2H4/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;2*1-2/h1-7H,(H,16,17);1-2H3;1-2H2.
What are the key properties of ethane;ethene;1,10-phenanthroline-2-carboxylic acid?
ethane;ethene;1,10-phenanthroline-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1,10-phenanthroline-2-carboxylic acid is sourced from PubChem (CID 145372120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).