(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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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).