1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one

C12H22N2O3 — CID 80580890

IUPAC1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one
SMILESCCOC(CCn1ccn(CC)c1=O)OCC
InChIInChI=1S/C12H22N2O3/c1-4-13-9-10-14(12(13)15)8-7-11(16-5-2)17-6-3/h9-11H,4-8H2,1-3H3
InChIKeyQRMSBMSAGCPYHH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.46
Rot. Bonds8

About 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one

1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one (PubChem CID 80580890) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one
PubChem CID80580890
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one
SMILESCCOC(CCn1ccn(CC)c1=O)OCC
InChIInChI=1S/C12H22N2O3/c1-4-13-9-10-14(12(13)15)8-7-11(16-5-2)17-6-3/h9-11H,4-8H2,1-3H3
InChIKeyQRMSBMSAGCPYHH-UHFFFAOYSA-N
XLogP1.46
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.46
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-(3,3-diethoxypropyl)-3-ethylimidazol-2-one?
The IUPAC name of 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one (CID 80580890) is 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one?
The canonical SMILES for 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one is CCOC(CCn1ccn(CC)c1=O)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one?
The InChIKey is QRMSBMSAGCPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-13-9-10-14(12(13)15)8-7-11(16-5-2)17-6-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one?
1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one has a molecular weight of 242.32 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one is sourced from PubChem (CID 80580890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).