3-ethyl-2-methyl-2-propylimidazolidin-4-one

C9H18N2O — CID 130684335

IUPAC3-ethyl-2-methyl-2-propylimidazolidin-4-one
SMILESCCCC1(C)NCC(=O)N1CC
InChIInChI=1S/C9H18N2O/c1-4-6-9(3)10-7-8(12)11(9)5-2/h10H,4-7H2,1-3H3
InChIKeyQXWRBOYUYFILGP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.95
Rot. Bonds3

About 3-ethyl-2-methyl-2-propylimidazolidin-4-one

3-ethyl-2-methyl-2-propylimidazolidin-4-one (PubChem CID 130684335) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-2-propylimidazolidin-4-one
PubChem CID130684335
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-ethyl-2-methyl-2-propylimidazolidin-4-one
SMILESCCCC1(C)NCC(=O)N1CC
InChIInChI=1S/C9H18N2O/c1-4-6-9(3)10-7-8(12)11(9)5-2/h10H,4-7H2,1-3H3
InChIKeyQXWRBOYUYFILGP-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-ethyl-2-methyl-2-propylimidazolidin-4-one (CID 130684335) is 3-ethyl-2-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-2-propylimidazolidin-4-one is CCCC1(C)NCC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-methyl-2-propylimidazolidin-4-one?
The InChIKey is QXWRBOYUYFILGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-6-9(3)10-7-8(12)11(9)5-2/h10H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-2-propylimidazolidin-4-one?
3-ethyl-2-methyl-2-propylimidazolidin-4-one has a molecular weight of 170.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 130684335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).