cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline

C29H30CoN4O5 — CID 139240244

IUPACcobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.CO.[Co].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4.2C5H8O2.CH4O.Co/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-4(6)3-5(2)7;1-2;/h1-10H;2*3,6H,1-2H3;2H,1H3;/b;4-3+;4-3-;;
InChIKeyWAHKGDJZODKZCT-PXHHXCARSA-N
MW573.52 g/mol
LogP5.56
Rot. Bonds2

About cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline

cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 139240244) has the molecular formula C29H30CoN4O5 and a molecular weight of 573.52 g/mol. Its IUPAC name is cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namecobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline
PubChem CID139240244
Molecular FormulaC29H30CoN4O5
Molecular Weight573.52 g/mol
Exact Mass573.15
IUPAC Namecobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.CO.[Co].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4.2C5H8O2.CH4O.Co/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-4(6)3-5(2)7;1-2;/h1-10H;2*3,6H,1-2H3;2H,1H3;/b;4-3+;4-3-;;
InChIKeyWAHKGDJZODKZCT-PXHHXCARSA-N
XLogP5.56
TPSA146.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.52
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Eilatine
CID 149352
Pyrazino[2,3-f][1,10]phenanthroline
CID 11765072
N-1,10-phenanthrolin-5-ylacetamide
CID 18719622
2,12,15-Triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),10,12,14(19),15,17-decaene
CID 46209728
Dipyridophenazine
CID 3081616
2-(2-Quinoxalin-2-ylethyl)-1,10-phenanthroline
CID 70114529
2-(2-Quinolin-2-ylethyl)-1,10-phenanthroline
CID 70116349
Bis(1,10-phenanthroline)oxalatoiron
CID 26904
bis(2,2'-bipyridyl)(dipyrido(3,2-alpha-2',3'-c)phenazine)ruthenium (II)
CID 3081615
Tetrapyrido(3,2-a:2',3'-c:3'',2''-h:2''',3'''-j)phenazine
CID 11977410
5-Dimethylamino-1,10-phenanthroline
CID 15208316
11-Fluoro-dipyrido[3,2-a:2',3'-c]phenazine
CID 46855717

Frequently Asked Questions

What is the IUPAC name of cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline (CID 139240244) is cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline is CC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.CO.[Co].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is WAHKGDJZODKZCT-PXHHXCARSA-N. The full InChI is InChI=1S/C18H10N4.2C5H8O2.CH4O.Co/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-4(6)3-5(2)7;1-2;/h1-10H;2*3,6H,1-2H3;2H,1H3;/b;4-3+;4-3-;;.
What are the key properties of cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline?
cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 573.52 g/mol, XLogP of 5.56, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 139240244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).