5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one

C13H24N2O2 — CID 83270878

IUPAC5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2(C)CCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-10(2)11-12(16)15(9-14-11)8-13(3)6-5-7-17-13/h10-11,14H,4-9H2,1-3H3
InChIKeyMGQAEHXPYDVWCS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds4

About 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one

5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one (PubChem CID 83270878) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
PubChem CID83270878
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2(C)CCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-10(2)11-12(16)15(9-14-11)8-13(3)6-5-7-17-13/h10-11,14H,4-9H2,1-3H3
InChIKeyMGQAEHXPYDVWCS-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one (CID 83270878) is 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one is CCC(C)C1NCN(CC2(C)CCCO2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
The InChIKey is MGQAEHXPYDVWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(2)11-12(16)15(9-14-11)8-13(3)6-5-7-17-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one has a molecular weight of 240.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83270878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).