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

C9H13N3O3 — CID 3023205

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

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

N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide (PubChem CID 3023205) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide
PubChem CID3023205
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H13N3O3/c1-4-6(13)10-5-12-7(14)9(2,3)11-8(12)15/h4H,1,5H2,2-3H3,(H,10,13)(H,11,15)
InChIKeyFDDHPCWGNIJSAP-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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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 60623112
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112230
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031584
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107846533
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827233

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide (CID 3023205) is N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide is C=CC(=O)NCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is FDDHPCWGNIJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-6(13)10-5-12-7(14)9(2,3)11-8(12)15/h4H,1,5H2,2-3H3,(H,10,13)(H,11,15).
What are the key properties of N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide?
N-[(4,4-dimethyl-2,5-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-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 3023205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).