methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate

C14H16N2O5 — CID 77074921

IUPACmethyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C14H16N2O5/c1-9(11(17)20-3)6-7-16-12(18)14(2,15-13(16)19)10-5-4-8-21-10/h4-6,8H,7H2,1-3H3,(H,15,19)
InChIKeyOKCYRHMZIMKTHD-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.17
Rot. Bonds4

About methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate

methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate (PubChem CID 77074921) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate
PubChem CID77074921
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C14H16N2O5/c1-9(11(17)20-3)6-7-16-12(18)14(2,15-13(16)19)10-5-4-8-21-10/h4-6,8H,7H2,1-3H3,(H,15,19)
InChIKeyOKCYRHMZIMKTHD-UHFFFAOYSA-N
XLogP1.17
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate with MolForge

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Related Compounds

tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
N-(4-ethoxyphenyl)-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92785323
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92785314
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
(5S)-5-(furan-2-yl)-3-[2-(2-methoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 94498941
4-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 47094570
2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 27109354
5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 24572395
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate?
The IUPAC name of methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate (CID 77074921) is methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate is COC(=O)C(C)=CCN1C(=O)NC(C)(c2ccco2)C1=O.
What is the InChIKey of methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate?
The InChIKey is OKCYRHMZIMKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(11(17)20-3)6-7-16-12(18)14(2,15-13(16)19)10-5-4-8-21-10/h4-6,8H,7H2,1-3H3,(H,15,19).
What are the key properties of methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate?
methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate has a molecular weight of 292.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate is sourced from PubChem (CID 77074921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).