3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one

C16H28N2O — CID 83258259

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(C2CC3CCC2C3)C1=O
InChIInChI=1S/C16H28N2O/c1-5-16(4)15(19)18(14(17-16)10(2)3)13-9-11-6-7-12(13)8-11/h10-14,17H,5-9H2,1-4H3
InChIKeyWTLOUDFPTKEOHL-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.76
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one

3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83258259) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83258259
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(C2CC3CCC2C3)C1=O
InChIInChI=1S/C16H28N2O/c1-5-16(4)15(19)18(14(17-16)10(2)3)13-9-11-6-7-12(13)8-11/h10-14,17H,5-9H2,1-4H3
InChIKeyWTLOUDFPTKEOHL-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one (CID 83258259) is 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one is CCC1(C)NC(C(C)C)N(C2CC3CCC2C3)C1=O.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is WTLOUDFPTKEOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(4)15(19)18(14(17-16)10(2)3)13-9-11-6-7-12(13)8-11/h10-14,17H,5-9H2,1-4H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
3-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 264.41 g/mol, XLogP of 2.76, 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]heptanyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83258259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).