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

C8H13N3O2 — CID 18371133

IUPAC2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCN1CCNC1=O
InChIInChI=1S/C8H13N3O2/c1-6(2)7(12)10-5-11-4-3-9-8(11)13/h1,3-5H2,2H3,(H,9,13)(H,10,12)
InChIKeySPGDJNZJJBLMOI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.34
Rot. Bonds3

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

2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide (PubChem CID 18371133) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
PubChem CID18371133
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCN1CCNC1=O
InChIInChI=1S/C8H13N3O2/c1-6(2)7(12)10-5-11-4-3-9-8(11)13/h1,3-5H2,2H3,(H,9,13)(H,10,12)
InChIKeySPGDJNZJJBLMOI-UHFFFAOYSA-N
XLogP-0.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide (CID 18371133) is 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide is C=C(C)C(=O)NCN1CCNC1=O.
What is the InChIKey of 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is SPGDJNZJJBLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)7(12)10-5-11-4-3-9-8(11)13/h1,3-5H2,2H3,(H,9,13)(H,10,12).
What are the key properties of 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide has a molecular weight of 183.21 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 18371133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).