1-butyl-3-methylimidazolidine-2,4-dione;ethane

C10H20N2O2 — CID 176672470

IUPAC1-butyl-3-methylimidazolidine-2,4-dione;ethane
SMILESCC.CCCCN1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2.C2H6/c1-3-4-5-10-6-7(11)9(2)8(10)12;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyWPZBRXGKKOTOST-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.71
Rot. Bonds3

About 1-butyl-3-methylimidazolidine-2,4-dione;ethane

1-butyl-3-methylimidazolidine-2,4-dione;ethane (PubChem CID 176672470) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-butyl-3-methylimidazolidine-2,4-dione;ethane.

Molecular Properties

Compound Name1-butyl-3-methylimidazolidine-2,4-dione;ethane
PubChem CID176672470
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-butyl-3-methylimidazolidine-2,4-dione;ethane
SMILESCC.CCCCN1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2.C2H6/c1-3-4-5-10-6-7(11)9(2)8(10)12;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyWPZBRXGKKOTOST-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-3-methylimidazolidine-2,4-dione;ethane?
The IUPAC name of 1-butyl-3-methylimidazolidine-2,4-dione;ethane (CID 176672470) is 1-butyl-3-methylimidazolidine-2,4-dione;ethane.
What is the SMILES notation for 1-butyl-3-methylimidazolidine-2,4-dione;ethane?
The canonical SMILES for 1-butyl-3-methylimidazolidine-2,4-dione;ethane is CC.CCCCN1CC(=O)N(C)C1=O.
What is the InChIKey of 1-butyl-3-methylimidazolidine-2,4-dione;ethane?
The InChIKey is WPZBRXGKKOTOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2H6/c1-3-4-5-10-6-7(11)9(2)8(10)12;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-3-methylimidazolidine-2,4-dione;ethane?
1-butyl-3-methylimidazolidine-2,4-dione;ethane has a molecular weight of 200.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazolidine-2,4-dione;ethane is sourced from PubChem (CID 176672470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).