3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate

C11H14N2O5 — CID 139973017

IUPAC3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C11H14N2O5/c1-7(2)10(16)18-6-4-5-13-9(15)8(14)12(3)11(13)17/h1,4-6H2,2-3H3
InChIKeyIUSKUNVNYWJSSL-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.08
Rot. Bonds5

About 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate

3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate (PubChem CID 139973017) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate
PubChem CID139973017
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C11H14N2O5/c1-7(2)10(16)18-6-4-5-13-9(15)8(14)12(3)11(13)17/h1,4-6H2,2-3H3
InChIKeyIUSKUNVNYWJSSL-UHFFFAOYSA-N
XLogP-0.08
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate (CID 139973017) is 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate?
The InChIKey is IUSKUNVNYWJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(2)10(16)18-6-4-5-13-9(15)8(14)12(3)11(13)17/h1,4-6H2,2-3H3.
What are the key properties of 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate?
3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate has a molecular weight of 254.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).