2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

C9H14N2O3 — CID 643493

IUPAC2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1CCNC1=O
InChIInChI=1S/C9H14N2O3/c1-7(2)8(12)14-6-5-11-4-3-10-9(11)13/h1,3-6H2,2H3,(H,10,13)
InChIKeyPFPUZMSQZJFLBK-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.13
Rot. Bonds4

About 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 643493) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID643493
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1CCNC1=O
InChIInChI=1S/C9H14N2O3/c1-7(2)8(12)14-6-5-11-4-3-10-9(11)13/h1,3-6H2,2H3,(H,10,13)
InChIKeyPFPUZMSQZJFLBK-UHFFFAOYSA-N
XLogP0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (CID 643493) is 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN1CCNC1=O.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is PFPUZMSQZJFLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(2)8(12)14-6-5-11-4-3-10-9(11)13/h1,3-6H2,2H3,(H,10,13).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 643493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).