3-butyl-2-ethylimidazolidin-4-one

C9H18N2O — CID 83238160

IUPAC3-butyl-2-ethylimidazolidin-4-one
SMILESCCCCN1C(=O)CNC1CC
InChIInChI=1S/C9H18N2O/c1-3-5-6-11-8(4-2)10-7-9(11)12/h8,10H,3-7H2,1-2H3
InChIKeyKXJJHUBBCGSWAT-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.95
Rot. Bonds4

About 3-butyl-2-ethylimidazolidin-4-one

3-butyl-2-ethylimidazolidin-4-one (PubChem CID 83238160) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-butyl-2-ethylimidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-ethylimidazolidin-4-one
PubChem CID83238160
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-butyl-2-ethylimidazolidin-4-one
SMILESCCCCN1C(=O)CNC1CC
InChIInChI=1S/C9H18N2O/c1-3-5-6-11-8(4-2)10-7-9(11)12/h8,10H,3-7H2,1-2H3
InChIKeyKXJJHUBBCGSWAT-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83236752
3-[2-(dimethylamino)ethyl]-2-ethylimidazolidin-4-one
CID 83250414
2-ethyl-3-[2-[ethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83255041
2-cyclopentyl-3-octylimidazolidin-4-one
CID 83260832
2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
3-[2-(dimethylamino)propyl]-2-ethylimidazolidin-4-one
CID 83250205
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
2-ethyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83258052
3-methyl-2-propylimidazolidin-4-one
CID 83259789
2-ethyl-3-(2-piperidin-1-ylpropyl)imidazolidin-4-one
CID 83249426
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethylimidazolidin-4-one?
The IUPAC name of 3-butyl-2-ethylimidazolidin-4-one (CID 83238160) is 3-butyl-2-ethylimidazolidin-4-one.
What is the SMILES notation for 3-butyl-2-ethylimidazolidin-4-one?
The canonical SMILES for 3-butyl-2-ethylimidazolidin-4-one is CCCCN1C(=O)CNC1CC.
What is the InChIKey of 3-butyl-2-ethylimidazolidin-4-one?
The InChIKey is KXJJHUBBCGSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-5-6-11-8(4-2)10-7-9(11)12/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-butyl-2-ethylimidazolidin-4-one?
3-butyl-2-ethylimidazolidin-4-one has a molecular weight of 170.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethylimidazolidin-4-one is sourced from PubChem (CID 83238160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).