1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione

C9H16N2O4 — CID 67719929

IUPAC1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione
SMILESCCC(CN1CC(=O)NC1=O)(OC)OC
InChIInChI=1S/C9H16N2O4/c1-4-9(14-2,15-3)6-11-5-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyBKBQFTOAIBYPLN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.06
Rot. Bonds5

About 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione

1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione (PubChem CID 67719929) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione
PubChem CID67719929
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione
SMILESCCC(CN1CC(=O)NC1=O)(OC)OC
InChIInChI=1S/C9H16N2O4/c1-4-9(14-2,15-3)6-11-5-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyBKBQFTOAIBYPLN-UHFFFAOYSA-N
XLogP-0.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione (CID 67719929) is 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione is CCC(CN1CC(=O)NC1=O)(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione?
The InChIKey is BKBQFTOAIBYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-9(14-2,15-3)6-11-5-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13).
What are the key properties of 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione?
1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione has a molecular weight of 216.24 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 67719929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).