5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one

C14H24N2O2 — CID 83270218

IUPAC5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-4-5-11-14(17)16(9(2)15-11)12-8-10-6-7-13(12)18-10/h9-13,15H,3-8H2,1-2H3
InChIKeyLNDGOUDVHCVVNQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.64
Rot. Bonds4

About 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one

5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one (PubChem CID 83270218) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
PubChem CID83270218
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-4-5-11-14(17)16(9(2)15-11)12-8-10-6-7-13(12)18-10/h9-13,15H,3-8H2,1-2H3
InChIKeyLNDGOUDVHCVVNQ-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one (CID 83270218) is 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one is CCCCC1NC(C)N(C2CC3CCC2O3)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
The InChIKey is LNDGOUDVHCVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-5-11-14(17)16(9(2)15-11)12-8-10-6-7-13(12)18-10/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83270218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).