methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate

C15H24N2O6 — CID 143525335

IUPACmethane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
SMILESC.C=C(NC(C)=O)C(=O)OC.C=C/C=C(\NC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO3.C6H9NO3.CH4/c1-4-5-7(8(11)12-3)9-6(2)10;1-4(6(9)10-3)7-5(2)8;/h4-5H,1H2,2-3H3,(H,9,10);1H2,2-3H3,(H,7,8);1H4/b7-5-;;
InChIKeyXZFQBWZEUJFMQJ-MWKZNRQPSA-N
MW328.37 g/mol
LogP0.81
Rot. Bonds5

About methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate

methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate (PubChem CID 143525335) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate.

Molecular Properties

Compound Namemethane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
PubChem CID143525335
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Namemethane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
SMILESC.C=C(NC(C)=O)C(=O)OC.C=C/C=C(\NC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO3.C6H9NO3.CH4/c1-4-5-7(8(11)12-3)9-6(2)10;1-4(6(9)10-3)7-5(2)8;/h4-5H,1H2,2-3H3,(H,9,10);1H2,2-3H3,(H,7,8);1H4/b7-5-;;
InChIKeyXZFQBWZEUJFMQJ-MWKZNRQPSA-N
XLogP0.81
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
methyl (Z)-2-acetamido-3-iodoprop-2-enoate
CID 15940885
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
methyl (2Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]penta-2,4-dienoate
CID 101448567
ethane;methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl (2S)-2-acetamidopentanoate;methyl (2S)-2-acetamidopent-4-enoate;rhodium
CID 160829932
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
CID 89197729
(3-acetamido-4-methoxy-4-oxobut-2-enyl)-methylphosphinic acid
CID 88606475
buta-1,3-diene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 121332885
methyl (Z)-2-acetamido-5-methylhex-2-enoate
CID 101077092
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219

Frequently Asked Questions

What is the IUPAC name of methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate?
The IUPAC name of methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate (CID 143525335) is methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate.
What is the SMILES notation for methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate?
The canonical SMILES for methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate is C.C=C(NC(C)=O)C(=O)OC.C=C/C=C(\NC(C)=O)C(=O)OC.
What is the InChIKey of methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate?
The InChIKey is XZFQBWZEUJFMQJ-MWKZNRQPSA-N. The full InChI is InChI=1S/C8H11NO3.C6H9NO3.CH4/c1-4-5-7(8(11)12-3)9-6(2)10;1-4(6(9)10-3)7-5(2)8;/h4-5H,1H2,2-3H3,(H,9,10);1H2,2-3H3,(H,7,8);1H4/b7-5-;;.
What are the key properties of methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate?
methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate has a molecular weight of 328.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate is sourced from PubChem (CID 143525335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).