N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide

C9H13N3O3 — CID 3023101

IUPACN-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H13N3O3/c1-4-6(13)10-5-12-8(15)11-7(14)9(12,2)3/h4H,1,5H2,2-3H3,(H,10,13)(H,11,14,15)
InChIKeyOGGUODYHPHOMBZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.42
Rot. Bonds3

About N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide

N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide (PubChem CID 3023101) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide
PubChem CID3023101
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H13N3O3/c1-4-6(13)10-5-12-8(15)11-7(14)9(12,2)3/h4H,1,5H2,2-3H3,(H,10,13)(H,11,14,15)
InChIKeyOGGUODYHPHOMBZ-UHFFFAOYSA-N
XLogP-0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide (CID 3023101) is N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide is C=CC(=O)NCN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is OGGUODYHPHOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-6(13)10-5-12-8(15)11-7(14)9(12,2)3/h4H,1,5H2,2-3H3,(H,10,13)(H,11,14,15).
What are the key properties of N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide has a molecular weight of 211.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 3023101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).