(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate

C8H12N2O3 — CID 175211358

IUPAC(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)ON1CCNC1=O
InChIInChI=1S/C8H12N2O3/c1-3-6(2)7(11)13-10-5-4-9-8(10)12/h3H,4-5H2,1-2H3,(H,9,12)
InChIKeyUKHHHANWNDKJJW-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.44
Rot. Bonds2

About (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate

(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate (PubChem CID 175211358) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate
PubChem CID175211358
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)ON1CCNC1=O
InChIInChI=1S/C8H12N2O3/c1-3-6(2)7(11)13-10-5-4-9-8(10)12/h3H,4-5H2,1-2H3,(H,9,12)
InChIKeyUKHHHANWNDKJJW-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.44
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-oxoimidazolidin-1-yl) 2-methylbut-2-enoate?
The IUPAC name of (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate (CID 175211358) is (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate.
What is the SMILES notation for (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate?
The canonical SMILES for (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate is CC=C(C)C(=O)ON1CCNC1=O.
What is the InChIKey of (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate?
The InChIKey is UKHHHANWNDKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-6(2)7(11)13-10-5-4-9-8(10)12/h3H,4-5H2,1-2H3,(H,9,12).
What are the key properties of (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate?
(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate has a molecular weight of 184.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate is sourced from PubChem (CID 175211358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).