5,5-dimethyl-3-propylimidazolidin-4-one

C8H16N2O — CID 83694724

IUPAC5,5-dimethyl-3-propylimidazolidin-4-one
SMILESCCCN1CNC(C)(C)C1=O
InChIInChI=1S/C8H16N2O/c1-4-5-10-6-9-8(2,3)7(10)11/h9H,4-6H2,1-3H3
InChIKeyKOVFMNCXQIWMEO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.56
Rot. Bonds2

About 5,5-dimethyl-3-propylimidazolidin-4-one

5,5-dimethyl-3-propylimidazolidin-4-one (PubChem CID 83694724) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5,5-dimethyl-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-3-propylimidazolidin-4-one
PubChem CID83694724
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5,5-dimethyl-3-propylimidazolidin-4-one
SMILESCCCN1CNC(C)(C)C1=O
InChIInChI=1S/C8H16N2O/c1-4-5-10-6-9-8(2,3)7(10)11/h9H,4-6H2,1-3H3
InChIKeyKOVFMNCXQIWMEO-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propylimidazolidin-4-one?
The IUPAC name of 5,5-dimethyl-3-propylimidazolidin-4-one (CID 83694724) is 5,5-dimethyl-3-propylimidazolidin-4-one.
What is the SMILES notation for 5,5-dimethyl-3-propylimidazolidin-4-one?
The canonical SMILES for 5,5-dimethyl-3-propylimidazolidin-4-one is CCCN1CNC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-propylimidazolidin-4-one?
The InChIKey is KOVFMNCXQIWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-5-10-6-9-8(2,3)7(10)11/h9H,4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-propylimidazolidin-4-one?
5,5-dimethyl-3-propylimidazolidin-4-one has a molecular weight of 156.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propylimidazolidin-4-one is sourced from PubChem (CID 83694724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).