(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate

C11H16N2O4 — CID 146865187

IUPAC(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN1C(=O)N(C)C(=O)C1(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)8(14)17-6-13-10(16)12(5)9(15)11(13,3)4/h1,6H2,2-5H3
InChIKeySLSLBPRGOZVWDJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.74
Rot. Bonds3

About (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate

(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 146865187) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate
PubChem CID146865187
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN1C(=O)N(C)C(=O)C1(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)8(14)17-6-13-10(16)12(5)9(15)11(13,3)4/h1,6H2,2-5H3
InChIKeySLSLBPRGOZVWDJ-UHFFFAOYSA-N
XLogP0.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
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

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
CID 88987490
3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile
CID 593423
(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 118494757
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl 2-methylprop-2-enoate
CID 91982725
methane;(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 158025898
(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate
CID 66795799
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289

Frequently Asked Questions

What is the IUPAC name of (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate (CID 146865187) is (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCN1C(=O)N(C)C(=O)C1(C)C.
What is the InChIKey of (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is SLSLBPRGOZVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)8(14)17-6-13-10(16)12(5)9(15)11(13,3)4/h1,6H2,2-5H3.
What are the key properties of (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate?
(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 146865187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).