3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one

C13H22N2O — CID 83257279

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
SMILESCCC1NCC(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C13H22N2O/c1-2-12-14-7-13(16)15(12)8-11-6-9-3-4-10(11)5-9/h9-12,14H,2-8H2,1H3
InChIKeyZNCKXJFKMPIDMV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.59
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one

3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one (PubChem CID 83257279) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
PubChem CID83257279
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
SMILESCCC1NCC(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C13H22N2O/c1-2-12-14-7-13(16)15(12)8-11-6-9-3-4-10(11)5-9/h9-12,14H,2-8H2,1H3
InChIKeyZNCKXJFKMPIDMV-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one
CID 83256940
1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 79551080
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-diazinane-2,4,6-trione
CID 112598016
2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256573
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263190
3-[2-(dimethylamino)ethyl]-2-ethylimidazolidin-4-one
CID 83250414
3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83236752
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione
CID 79515455
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one (CID 83257279) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one is CCC1NCC(=O)N1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one?
The InChIKey is ZNCKXJFKMPIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-12-14-7-13(16)15(12)8-11-6-9-3-4-10(11)5-9/h9-12,14H,2-8H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one has a molecular weight of 222.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one is sourced from PubChem (CID 83257279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).