2-undecylimidazolidin-4-one

C14H28N2O — CID 175066208

IUPAC2-undecylimidazolidin-4-one
SMILESCCCCCCCCCCCC1NCC(=O)N1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-10-11-13-15-12-14(17)16-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyGAIASIMZXCUQFK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.95
Rot. Bonds10

About 2-undecylimidazolidin-4-one

2-undecylimidazolidin-4-one (PubChem CID 175066208) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-undecylimidazolidin-4-one.

Molecular Properties

Compound Name2-undecylimidazolidin-4-one
PubChem CID175066208
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-undecylimidazolidin-4-one
SMILESCCCCCCCCCCCC1NCC(=O)N1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-10-11-13-15-12-14(17)16-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyGAIASIMZXCUQFK-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-hexyl-1,3-thiazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-undecylimidazolidin-4-one?
The IUPAC name of 2-undecylimidazolidin-4-one (CID 175066208) is 2-undecylimidazolidin-4-one.
What is the SMILES notation for 2-undecylimidazolidin-4-one?
The canonical SMILES for 2-undecylimidazolidin-4-one is CCCCCCCCCCCC1NCC(=O)N1.
What is the InChIKey of 2-undecylimidazolidin-4-one?
The InChIKey is GAIASIMZXCUQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-10-11-13-15-12-14(17)16-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-undecylimidazolidin-4-one?
2-undecylimidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylimidazolidin-4-one is sourced from PubChem (CID 175066208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).