5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione

C12H20N2O2 — CID 5273850

IUPAC5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-8(2)10-11(15)14(12(16)13-10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyIXLKSOVHMSMNLX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.90
Rot. Bonds3

About 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione

5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione (PubChem CID 5273850) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione
PubChem CID5273850
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-8(2)10-11(15)14(12(16)13-10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyIXLKSOVHMSMNLX-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.90
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 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione?
The IUPAC name of 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione (CID 5273850) is 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione?
The canonical SMILES for 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione is CCC(C)C1NC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione?
The InChIKey is IXLKSOVHMSMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-8(2)10-11(15)14(12(16)13-10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione?
5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-cyclopentylimidazolidine-2,4-dione is sourced from PubChem (CID 5273850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).