3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one

C9H16N2O2 — CID 90039232

IUPAC3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
SMILESCOCCN1C(=O)NC2CCCC21
InChIInChI=1S/C9H16N2O2/c1-13-6-5-11-8-4-2-3-7(8)10-9(11)12/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyXFUASRKISFVYJH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds3

About 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one

3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one (PubChem CID 90039232) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
PubChem CID90039232
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
SMILESCOCCN1C(=O)NC2CCCC21
InChIInChI=1S/C9H16N2O2/c1-13-6-5-11-8-4-2-3-7(8)10-9(11)12/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyXFUASRKISFVYJH-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one (CID 90039232) is 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one is COCCN1C(=O)NC2CCCC21.
What is the InChIKey of 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one?
The InChIKey is XFUASRKISFVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-6-5-11-8-4-2-3-7(8)10-9(11)12/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one?
3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one is sourced from PubChem (CID 90039232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).