3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione

C10H19N4O2+ — CID 163167788

IUPAC3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(CCCN2CC[NH2+]C2)C1=O
InChIInChI=1S/C10H18N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h8,11H,2-7H2,1H3,(H,12,16)/p+1
InChIKeyYBQIQEBJSSDEKR-UHFFFAOYSA-O
MW227.29 g/mol
LogP-1.85
Rot. Bonds4

About 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione

3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione (PubChem CID 163167788) has the molecular formula C10H19N4O2+ and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione
PubChem CID163167788
Molecular FormulaC10H19N4O2+
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(CCCN2CC[NH2+]C2)C1=O
InChIInChI=1S/C10H18N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h8,11H,2-7H2,1H3,(H,12,16)/p+1
InChIKeyYBQIQEBJSSDEKR-UHFFFAOYSA-O
XLogP-1.85
TPSA69.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione (CID 163167788) is 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(CCCN2CC[NH2+]C2)C1=O.
What is the InChIKey of 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is YBQIQEBJSSDEKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h8,11H,2-7H2,1H3,(H,12,16)/p+1.
What are the key properties of 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 227.29 g/mol, XLogP of -1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 163167788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).