1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione

C8H15N2O2+ — CID 18459281

IUPAC1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione
SMILESCCC[N+]1(C)C(=O)CN(C)C1=O
InChIInChI=1S/C8H15N2O2/c1-4-5-10(3)7(11)6-9(2)8(10)12/h4-6H2,1-3H3/q+1
InChIKeyOYWPBZCAVIZUAV-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.44
Rot. Bonds2

About 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione

1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione (PubChem CID 18459281) has the molecular formula C8H15N2O2+ and a molecular weight of 171.22 g/mol. Its IUPAC name is 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione
PubChem CID18459281
Molecular FormulaC8H15N2O2+
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione
SMILESCCC[N+]1(C)C(=O)CN(C)C1=O
InChIInChI=1S/C8H15N2O2/c1-4-5-10(3)7(11)6-9(2)8(10)12/h4-6H2,1-3H3/q+1
InChIKeyOYWPBZCAVIZUAV-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione?
The IUPAC name of 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione (CID 18459281) is 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione?
The canonical SMILES for 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione is CCC[N+]1(C)C(=O)CN(C)C1=O.
What is the InChIKey of 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione?
The InChIKey is OYWPBZCAVIZUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O2/c1-4-5-10(3)7(11)6-9(2)8(10)12/h4-6H2,1-3H3/q+1.
What are the key properties of 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione?
1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione has a molecular weight of 171.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-propylimidazolidin-3-ium-2,4-dione is sourced from PubChem (CID 18459281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).