1-(3-methylbutyl)imidazolidine-2,4-dione

C8H14N2O2 — CID 19086230

IUPAC1-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CCN1CC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c1-6(2)3-4-10-5-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyITGLHSNNCIYPID-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.58
Rot. Bonds3

About 1-(3-methylbutyl)imidazolidine-2,4-dione

1-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 19086230) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID19086230
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CCN1CC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c1-6(2)3-4-10-5-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyITGLHSNNCIYPID-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
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-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3-methylbutyl)imidazolidine-2,4-dione (CID 19086230) is 1-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3-methylbutyl)imidazolidine-2,4-dione is CC(C)CCN1CC(=O)NC1=O.
What is the InChIKey of 1-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is ITGLHSNNCIYPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)3-4-10-5-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12).
What are the key properties of 1-(3-methylbutyl)imidazolidine-2,4-dione?
1-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 19086230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).