5-pentan-3-ylimidazolidine-2,4-dione

C8H14N2O2 — CID 11435187

IUPAC5-pentan-3-ylimidazolidine-2,4-dione
SMILESCCC(CC)C1NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c1-3-5(4-2)6-7(11)10-8(12)9-6/h5-6H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyVZJBLSZIXFZMPD-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.63
Rot. Bonds3

About 5-pentan-3-ylimidazolidine-2,4-dione

5-pentan-3-ylimidazolidine-2,4-dione (PubChem CID 11435187) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-pentan-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-pentan-3-ylimidazolidine-2,4-dione
PubChem CID11435187
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-pentan-3-ylimidazolidine-2,4-dione
SMILESCCC(CC)C1NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c1-3-5(4-2)6-7(11)10-8(12)9-6/h5-6H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyVZJBLSZIXFZMPD-UHFFFAOYSA-N
XLogP0.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
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 5-pentan-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-pentan-3-ylimidazolidine-2,4-dione (CID 11435187) is 5-pentan-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-pentan-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-pentan-3-ylimidazolidine-2,4-dione is CCC(CC)C1NC(=O)NC1=O.
What is the InChIKey of 5-pentan-3-ylimidazolidine-2,4-dione?
The InChIKey is VZJBLSZIXFZMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-5(4-2)6-7(11)10-8(12)9-6/h5-6H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-pentan-3-ylimidazolidine-2,4-dione?
5-pentan-3-ylimidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 11435187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).