3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one

C12H20N2O — CID 83239179

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
SMILESCC(C1CC2CCC1C2)N1CNCC1=O
InChIInChI=1S/C12H20N2O/c1-8(14-7-13-6-12(14)15)11-5-9-2-3-10(11)4-9/h8-11,13H,2-7H2,1H3
InChIKeyLJINZDWWVZEQIT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.20
Rot. Bonds2

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one (PubChem CID 83239179) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
PubChem CID83239179
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
SMILESCC(C1CC2CCC1C2)N1CNCC1=O
InChIInChI=1S/C12H20N2O/c1-8(14-7-13-6-12(14)15)11-5-9-2-3-10(11)4-9/h8-11,13H,2-7H2,1H3
InChIKeyLJINZDWWVZEQIT-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186157
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186158
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64956567
6-amino-1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrimidine-2,4-dione
CID 98243165
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one
CID 54975264
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83238792
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404410
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 43635971

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one (CID 83239179) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one is CC(C1CC2CCC1C2)N1CNCC1=O.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one?
The InChIKey is LJINZDWWVZEQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(14-7-13-6-12(14)15)11-5-9-2-3-10(11)4-9/h8-11,13H,2-7H2,1H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one has a molecular weight of 208.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83239179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).