5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

C11H19N3O2 — CID 47013852

IUPAC5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-7-13-5-3-4-6-13/h3-8H2,1-2H3,(H,12,16)
InChIKeyBSYVRPAWOLHJFO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.41
Rot. Bonds3

About 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 47013852) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID47013852
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-7-13-5-3-4-6-13/h3-8H2,1-2H3,(H,12,16)
InChIKeyBSYVRPAWOLHJFO-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (CID 47013852) is 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCCC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is BSYVRPAWOLHJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-7-13-5-3-4-6-13/h3-8H2,1-2H3,(H,12,16).
What are the key properties of 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47013852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).