ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium

C30H60N3O9Rh- — CID 160829932

IUPACethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium
SMILESC.C.C.C.C=C/C=C(\NC(C)=O)C(=O)OC.C=CC[C@H](NC(C)=O)C(=O)OC.CCC[C@H](NC(C)=O)C(=O)OC.[CH2-]C.[Rh]
InChIInChI=1S/C8H15NO3.C8H13NO3.C8H11NO3.C2H5.4CH4.Rh/c3*1-4-5-7(8(11)12-3)9-6(2)10;1-2;;;;;/h7H,4-5H2,1-3H3,(H,9,10);4,7H,1,5H2,2-3H3,(H,9,10);4-5H,1H2,2-3H3,(H,9,10);1H2,2H3;4*1H4;/q;;;-1;;;;;/b;;7-5-;;;;;;/t2*7-;;;;;;;/m00......./s1
InChIKeyYSWWQLFHZOIWCR-LHODTDKBSA-N
MW709.73 g/mol
LogP4.45
Rot. Bonds11

About ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium

ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium (PubChem CID 160829932) has the molecular formula C30H60N3O9Rh- and a molecular weight of 709.73 g/mol. Its IUPAC name is ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium.

Molecular Properties

Compound Nameethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium
PubChem CID160829932
Molecular FormulaC30H60N3O9Rh-
Molecular Weight709.73 g/mol
Exact Mass709.34
IUPAC Nameethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium
SMILESC.C.C.C.C=C/C=C(\NC(C)=O)C(=O)OC.C=CC[C@H](NC(C)=O)C(=O)OC.CCC[C@H](NC(C)=O)C(=O)OC.[CH2-]C.[Rh]
InChIInChI=1S/C8H15NO3.C8H13NO3.C8H11NO3.C2H5.4CH4.Rh/c3*1-4-5-7(8(11)12-3)9-6(2)10;1-2;;;;;/h7H,4-5H2,1-3H3,(H,9,10);4,7H,1,5H2,2-3H3,(H,9,10);4-5H,1H2,2-3H3,(H,9,10);1H2,2H3;4*1H4;/q;;;-1;;;;;/b;;7-5-;;;;;;/t2*7-;;;;;;;/m00......./s1
InChIKeyYSWWQLFHZOIWCR-LHODTDKBSA-N
XLogP4.45
TPSA166.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.73
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
CID 143525335
methyl 2-acetamido-2-dimethoxyphosphorylacetate;methyl (2Z)-2-acetamido-5-methylhexa-2,4-dienoate;methyl (2S)-2-acetamido-5-methylhex-4-enoate;3-methylbut-2-enal;propane;rhodium
CID 158841527
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl (2S)-2-(2-methylhexanoylamino)pent-4-enoate
CID 87461138
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
methyl (E,2R)-2-acetamidooct-4-enoate
CID 134967402
methyl 2-acetamidooctanoate
CID 6429509
methyl (2S)-2-acetamidobutanoate
CID 11084154
CID 157010257
CID 157010257

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium?
The IUPAC name of ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium (CID 160829932) is ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium.
What is the SMILES notation for ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium?
The canonical SMILES for ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium is C.C.C.C.C=C/C=C(\NC(C)=O)C(=O)OC.C=CC[C@H](NC(C)=O)C(=O)OC.CCC[C@H](NC(C)=O)C(=O)OC.[CH2-]C.[Rh].
What is the InChIKey of ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium?
The InChIKey is YSWWQLFHZOIWCR-LHODTDKBSA-N. The full InChI is InChI=1S/C8H15NO3.C8H13NO3.C8H11NO3.C2H5.4CH4.Rh/c3*1-4-5-7(8(11)12-3)9-6(2)10;1-2;;;;;/h7H,4-5H2,1-3H3,(H,9,10);4,7H,1,5H2,2-3H3,(H,9,10);4-5H,1H2,2-3H3,(H,9,10);1H2,2H3;4*1H4;/q;;;-1;;;;;/b;;7-5-;;;;;;/t2*7-;;;;;;;/m00......./s1.
What are the key properties of ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium?
ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium has a molecular weight of 709.73 g/mol, XLogP of 4.45, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium is sourced from PubChem (CID 160829932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).