(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium

C16H16NO2Rh- — CID 58099744

IUPAC(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
SMILESCC(=O)/C=C(/C)O.[Rh].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C5H8O2.Rh/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeySDAOUCNCKGCDPC-LWFKIUJUSA-N
MW357.22 g/mol
LogP3.58
Rot. Bonds2

About (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium

(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium (PubChem CID 58099744) has the molecular formula C16H16NO2Rh- and a molecular weight of 357.22 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
PubChem CID58099744
Molecular FormulaC16H16NO2Rh-
Molecular Weight357.22 g/mol
Exact Mass357.02
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
SMILESCC(=O)/C=C(/C)O.[Rh].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C5H8O2.Rh/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeySDAOUCNCKGCDPC-LWFKIUJUSA-N
XLogP3.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;2-phenylpyridine
CID 58695341
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
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;bis(iridium);bis(2-phenylpyridine)
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CID 58963787
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(3-isocyanobenzene-6-id-1-yl)pyridine
CID 58162321
bis(1-(4-ethylbenzene-6-id-1-yl)isoquinoline);bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(2-phenylpyridine)
CID 159880437
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
iridium;tris(2-phenylpyridine)
CID 23386734
4-hydroxypent-3-en-2-one;iridium;pentafluoro-(4-pyridin-2-ylbenzene-5-id-1-yl)-λ6-sulfane
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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium (CID 58099744) is (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium is CC(=O)/C=C(/C)O.[Rh].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium?
The InChIKey is SDAOUCNCKGCDPC-LWFKIUJUSA-N. The full InChI is InChI=1S/C11H8N.C5H8O2.Rh/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;/h1-6,8-9H;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium?
(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium has a molecular weight of 357.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium is sourced from PubChem (CID 58099744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).