3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)

C29H26N2O4Rh — CID 21053274

IUPAC3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)
SMILESC=C(C)C(=O)OCCC(=O)O.[Rh+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.C7H10O4.Rh/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5(2)7(10)11-4-3-6(8)9;/h2*1-6,8-9H;1,3-4H2,2H3,(H,8,9);/q2*-1;;+2
InChIKeyGSCMPHBGZIKYMQ-UHFFFAOYSA-N
MW569.44 g/mol
LogP5.68
Rot. Bonds6

About 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)

3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+) (PubChem CID 21053274) has the molecular formula C29H26N2O4Rh and a molecular weight of 569.44 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+).

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)
PubChem CID21053274
Molecular FormulaC29H26N2O4Rh
Molecular Weight569.44 g/mol
Exact Mass569.09
IUPAC Name3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)
SMILESC=C(C)C(=O)OCCC(=O)O.[Rh+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.C7H10O4.Rh/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5(2)7(10)11-4-3-6(8)9;/h2*1-6,8-9H;1,3-4H2,2H3,(H,8,9);/q2*-1;;+2
InChIKeyGSCMPHBGZIKYMQ-UHFFFAOYSA-N
XLogP5.68
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+) (CID 21053274) is 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+).
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+) is C=C(C)C(=O)OCCC(=O)O.[Rh+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)?
The InChIKey is GSCMPHBGZIKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.C7H10O4.Rh/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5(2)7(10)11-4-3-6(8)9;/h2*1-6,8-9H;1,3-4H2,2H3,(H,8,9);/q2*-1;;+2.
What are the key properties of 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+)?
3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+) has a molecular weight of 569.44 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)propanoic acid;bis(2-phenylpyridine);rhodium(2+) is sourced from PubChem (CID 21053274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).