2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide

C9H15N3O2 — CID 25143746

IUPAC2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CNC(=O)C1
InChIInChI=1S/C9H15N3O2/c1-7(2)9(14)10-3-4-12-5-8(13)11-6-12/h1,3-6H2,2H3,(H,10,14)(H,11,13)
InChIKeyUQAYNKGYZJGSPE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.93
Rot. Bonds4

About 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide

2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide (PubChem CID 25143746) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
PubChem CID25143746
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CNC(=O)C1
InChIInChI=1S/C9H15N3O2/c1-7(2)9(14)10-3-4-12-5-8(13)11-6-12/h1,3-6H2,2H3,(H,10,14)(H,11,13)
InChIKeyUQAYNKGYZJGSPE-UHFFFAOYSA-N
XLogP-0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
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-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide (CID 25143746) is 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide is C=C(C)C(=O)NCCN1CNC(=O)C1.
What is the InChIKey of 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide?
The InChIKey is UQAYNKGYZJGSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)9(14)10-3-4-12-5-8(13)11-6-12/h1,3-6H2,2H3,(H,10,14)(H,11,13).
What are the key properties of 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide?
2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide has a molecular weight of 197.24 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 25143746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).