5-butyl-3-octan-4-ylimidazolidin-4-one

C15H30N2O — CID 106021472

IUPAC5-butyl-3-octan-4-ylimidazolidin-4-one
SMILESCCCCC1NCN(C(CCC)CCCC)C1=O
InChIInChI=1S/C15H30N2O/c1-4-7-10-13(9-6-3)17-12-16-14(15(17)18)11-8-5-2/h13-14,16H,4-12H2,1-3H3
InChIKeyVLWQEFOQHDSIKA-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.29
Rot. Bonds9

About 5-butyl-3-octan-4-ylimidazolidin-4-one

5-butyl-3-octan-4-ylimidazolidin-4-one (PubChem CID 106021472) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-butyl-3-octan-4-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-octan-4-ylimidazolidin-4-one
PubChem CID106021472
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-butyl-3-octan-4-ylimidazolidin-4-one
SMILESCCCCC1NCN(C(CCC)CCCC)C1=O
InChIInChI=1S/C15H30N2O/c1-4-7-10-13(9-6-3)17-12-16-14(15(17)18)11-8-5-2/h13-14,16H,4-12H2,1-3H3
InChIKeyVLWQEFOQHDSIKA-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptan-2-yl-5-propylimidazolidin-4-one
CID 83253979
5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
CID 83250007
5-butyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83257839
5-butyl-3-decylimidazolidin-4-one
CID 83270318
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591
3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
CID 83254098
5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one
CID 114125414
5-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242760
5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
CID 103968821
5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
CID 83246616
6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 106021485
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-octan-4-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-octan-4-ylimidazolidin-4-one (CID 106021472) is 5-butyl-3-octan-4-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-octan-4-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-octan-4-ylimidazolidin-4-one is CCCCC1NCN(C(CCC)CCCC)C1=O.
What is the InChIKey of 5-butyl-3-octan-4-ylimidazolidin-4-one?
The InChIKey is VLWQEFOQHDSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-7-10-13(9-6-3)17-12-16-14(15(17)18)11-8-5-2/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 5-butyl-3-octan-4-ylimidazolidin-4-one?
5-butyl-3-octan-4-ylimidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-octan-4-ylimidazolidin-4-one is sourced from PubChem (CID 106021472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).