ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate

C8H10N2O4 — CID 12748855

IUPACethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\NC(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-6(11)4-5-7(12)10(2)8(13)9-5/h4H,3H2,1-2H3,(H,9,13)/b5-4-
InChIKeyWQYWJEJGDFUXDW-PLNGDYQASA-N
MW198.18 g/mol
LogP-0.38
Rot. Bonds2

About ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate

ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate (PubChem CID 12748855) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate
PubChem CID12748855
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\NC(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-6(11)4-5-7(12)10(2)8(13)9-5/h4H,3H2,1-2H3,(H,9,13)/b5-4-
InChIKeyWQYWJEJGDFUXDW-PLNGDYQASA-N
XLogP-0.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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 (2Z)-2-(4-decyl-3-oxo-1H-quinoxalin-2-ylidene)acetate
CID 139052119
ethyl (2Z)-2-(3-oxoisoindol-1-ylidene)acetate
CID 139094769
ethyl (2E)-2-(5-oxopiperazin-2-ylidene)acetate
CID 45099884
ethyl (2Z)-2-[(5S)-3,5-dimethyl-1,4-dioxo-1,3-thiazolidin-2-ylidene]acetate
CID 102495300
ethyl (2Z)-2-[5-oxo-3,4-bis(phenylmethoxy)pyrrol-2-ylidene]acetate
CID 101467249
CID 134879774
CID 134879774
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate
CID 13193714
ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
CID 5467017
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate (CID 12748855) is ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate is CCOC(=O)/C=C1\NC(=O)N(C)C1=O.
What is the InChIKey of ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
The InChIKey is WQYWJEJGDFUXDW-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-6(11)4-5-7(12)10(2)8(13)9-5/h4H,3H2,1-2H3,(H,9,13)/b5-4-.
What are the key properties of ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate is sourced from PubChem (CID 12748855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).