1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one

C12H20N2O3 — CID 80581211

IUPAC1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one
SMILESCCOC(Cn1ccn(C2CC2)c1=O)OCC
InChIInChI=1S/C12H20N2O3/c1-3-16-11(17-4-2)9-13-7-8-14(12(13)15)10-5-6-10/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyLGOZZKXVYWFPMR-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.38
Rot. Bonds7

About 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one

1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one (PubChem CID 80581211) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one
PubChem CID80581211
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one
SMILESCCOC(Cn1ccn(C2CC2)c1=O)OCC
InChIInChI=1S/C12H20N2O3/c1-3-16-11(17-4-2)9-13-7-8-14(12(13)15)10-5-6-10/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyLGOZZKXVYWFPMR-UHFFFAOYSA-N
XLogP1.38
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one (CID 80581211) is 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one is CCOC(Cn1ccn(C2CC2)c1=O)OCC.
What is the InChIKey of 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one?
The InChIKey is LGOZZKXVYWFPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-16-11(17-4-2)9-13-7-8-14(12(13)15)10-5-6-10/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one?
1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one has a molecular weight of 240.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-diethoxyethyl)imidazol-2-one is sourced from PubChem (CID 80581211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).