1-octanoylimidazolidin-2-one

C11H20N2O2 — CID 18702570

IUPAC1-octanoylimidazolidin-2-one
SMILESCCCCCCCC(=O)N1CCNC1=O
InChIInChI=1S/C11H20N2O2/c1-2-3-4-5-6-7-10(14)13-9-8-12-11(13)15/h2-9H2,1H3,(H,12,15)
InChIKeyRIUCPOPMKKYPGE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.90
Rot. Bonds6

About 1-octanoylimidazolidin-2-one

1-octanoylimidazolidin-2-one (PubChem CID 18702570) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-octanoylimidazolidin-2-one.

Molecular Properties

Compound Name1-octanoylimidazolidin-2-one
PubChem CID18702570
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-octanoylimidazolidin-2-one
SMILESCCCCCCCC(=O)N1CCNC1=O
InChIInChI=1S/C11H20N2O2/c1-2-3-4-5-6-7-10(14)13-9-8-12-11(13)15/h2-9H2,1H3,(H,12,15)
InChIKeyRIUCPOPMKKYPGE-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-octanoylimidazolidin-2-one?
The IUPAC name of 1-octanoylimidazolidin-2-one (CID 18702570) is 1-octanoylimidazolidin-2-one.
What is the SMILES notation for 1-octanoylimidazolidin-2-one?
The canonical SMILES for 1-octanoylimidazolidin-2-one is CCCCCCCC(=O)N1CCNC1=O.
What is the InChIKey of 1-octanoylimidazolidin-2-one?
The InChIKey is RIUCPOPMKKYPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-4-5-6-7-10(14)13-9-8-12-11(13)15/h2-9H2,1H3,(H,12,15).
What are the key properties of 1-octanoylimidazolidin-2-one?
1-octanoylimidazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octanoylimidazolidin-2-one is sourced from PubChem (CID 18702570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).