1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione

C10H17N3O2 — CID 142058209

IUPAC1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1CCCC1CCN1CC(=O)NC1=O
InChIInChI=1S/C10H17N3O2/c1-12-5-2-3-8(12)4-6-13-7-9(14)11-10(13)15/h8H,2-7H2,1H3,(H,11,14,15)
InChIKeyWWPSESRBYDXHHZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.02
Rot. Bonds3

About 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione

1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 142058209) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID142058209
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1CCCC1CCN1CC(=O)NC1=O
InChIInChI=1S/C10H17N3O2/c1-12-5-2-3-8(12)4-6-13-7-9(14)11-10(13)15/h8H,2-7H2,1H3,(H,11,14,15)
InChIKeyWWPSESRBYDXHHZ-UHFFFAOYSA-N
XLogP0.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.02
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 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione (CID 142058209) is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione is CN1CCCC1CCN1CC(=O)NC1=O.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is WWPSESRBYDXHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-5-2-3-8(12)4-6-13-7-9(14)11-10(13)15/h8H,2-7H2,1H3,(H,11,14,15).
What are the key properties of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione?
1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 142058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).