3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium

C14H24N3O4+ — CID 129055535

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium
SMILESC=CC(=O)OC[N+](C)(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H23N3O4/c1-6-11(18)21-10-17(4,5)9-7-8-16-12(19)14(2,3)15-13(16)20/h6H,1,7-10H2,2-5H3/p+1
InChIKeyCFIARQPDECYSKW-UHFFFAOYSA-O
MW298.36 g/mol
LogP0.47
Rot. Bonds7

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium (PubChem CID 129055535) has the molecular formula C14H24N3O4+ and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium
PubChem CID129055535
Molecular FormulaC14H24N3O4+
Molecular Weight298.36 g/mol
Exact Mass298.18
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium
SMILESC=CC(=O)OC[N+](C)(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H23N3O4/c1-6-11(18)21-10-17(4,5)9-7-8-16-12(19)14(2,3)15-13(16)20/h6H,1,7-10H2,2-5H3/p+1
InChIKeyCFIARQPDECYSKW-UHFFFAOYSA-O
XLogP0.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium (CID 129055535) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium is C=CC(=O)OC[N+](C)(C)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium?
The InChIKey is CFIARQPDECYSKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O4/c1-6-11(18)21-10-17(4,5)9-7-8-16-12(19)14(2,3)15-13(16)20/h6H,1,7-10H2,2-5H3/p+1.
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium has a molecular weight of 298.36 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-(prop-2-enoyloxymethyl)azanium is sourced from PubChem (CID 129055535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).