ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate

C8H10N2O4 — CID 15716915

IUPACethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1\NC(=O)NC1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-7(12)4(2)5-6(11)10-8(13)9-5/h3H2,1-2H3,(H2,9,10,11,13)/b5-4-
InChIKeyJJKAHPLHPALTJV-PLNGDYQASA-N
MW198.18 g/mol
LogP-0.34
Rot. Bonds2

About ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate

ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate (PubChem CID 15716915) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate
PubChem CID15716915
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1\NC(=O)NC1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-7(12)4(2)5-6(11)10-8(13)9-5/h3H2,1-2H3,(H2,9,10,11,13)/b5-4-
InChIKeyJJKAHPLHPALTJV-PLNGDYQASA-N
XLogP-0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
ethyl 2-[(3aR,6aS)-3a,6a-dimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ylidene]propanoate
CID 147643757
ethyl 2-oxo(213C)propanoate
CID 71309469
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2,3-difluorobut-2-enoate
CID 73190120
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
ethyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
CID 10587231
CID 159689459
CID 159689459
diethyl oxalate;ethyl acetate
CID 160900883

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate?
The IUPAC name of ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate (CID 15716915) is ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate.
What is the SMILES notation for ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate?
The canonical SMILES for ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate is CCOC(=O)/C(C)=C1\NC(=O)NC1=O.
What is the InChIKey of ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate?
The InChIKey is JJKAHPLHPALTJV-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-7(12)4(2)5-6(11)10-8(13)9-5/h3H2,1-2H3,(H2,9,10,11,13)/b5-4-.
What are the key properties of ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate?
ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate has a molecular weight of 198.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2,5-dioxoimidazolidin-4-ylidene)propanoate is sourced from PubChem (CID 15716915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).