(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine

C14H14NO2RhS- — CID 58963787

IUPAC(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)/C=C(/C)O.[Rh].[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C9H6NS.C5H8O2.Rh/c1-2-6-10-8(4-1)9-5-3-7-11-9;1-4(6)3-5(2)7;/h1-4,6-7H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeySGOKUVILORFFPH-LWFKIUJUSA-N
MW363.24 g/mol
LogP3.64
Rot. Bonds2

About (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine

(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 58963787) has the molecular formula C14H14NO2RhS- and a molecular weight of 363.24 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID58963787
Molecular FormulaC14H14NO2RhS-
Molecular Weight363.24 g/mol
Exact Mass362.98
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)/C=C(/C)O.[Rh].[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C9H6NS.C5H8O2.Rh/c1-2-6-10-8(4-1)9-5-3-7-11-9;1-4(6)3-5(2)7;/h1-4,6-7H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeySGOKUVILORFFPH-LWFKIUJUSA-N
XLogP3.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
CID 23526386
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;iridium
CID 148776748
10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
CID 159564125
iodoplatinum(1+);2-pyridin-2-yl-6-(3H-thiophen-3-id-2-yl)pyridine
CID 58637346
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(3-isocyanobenzene-6-id-1-yl)pyridine
CID 58162321
pentakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);4-hydroxypent-3-en-2-one;iridium;bis(iridium(3+));2-phenylpyridine;tris(2-phenylpyridine)
CID 158606000
4-hydroxypent-3-en-2-one;pyridine-2-carboxylic acid
CID 77413550
4-hydroxypent-3-en-2-one;iridium;pentafluoro-(4-pyridin-2-ylbenzene-5-id-1-yl)-λ6-sulfane
CID 152840159
bis(2-(4-ethynylbenzene-6-id-1-yl)pyridine);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 139249289
4-(2,2-dimethylpropyl)-10H-benzo[h]quinolin-10-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-phenylisoquinoline;2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine
CID 157454984
2-hydroxy-4-oxopent-2-enoic acid;iridium;bis(2-phenylpyridine)
CID 170922925

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine (CID 58963787) is (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine is CC(=O)/C=C(/C)O.[Rh].[c-]1ccsc1-c1ccccn1.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is SGOKUVILORFFPH-LWFKIUJUSA-N. The full InChI is InChI=1S/C9H6NS.C5H8O2.Rh/c1-2-6-10-8(4-1)9-5-3-7-11-9;1-4(6)3-5(2)7;/h1-4,6-7H;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?
(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 363.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 58963787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).