1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one

C11H19N3O2 — CID 80579834

IUPAC1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one
SMILESCCOC(CN)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H19N3O2/c1-2-16-10(7-12)8-13-5-6-14(11(13)15)9-3-4-9/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyXQYITKQGNWSUPY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.35
Rot. Bonds6

About 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one

1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one (PubChem CID 80579834) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one
PubChem CID80579834
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one
SMILESCCOC(CN)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H19N3O2/c1-2-16-10(7-12)8-13-5-6-14(11(13)15)9-3-4-9/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyXQYITKQGNWSUPY-UHFFFAOYSA-N
XLogP0.35
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one (CID 80579834) is 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one is CCOC(CN)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one?
The InChIKey is XQYITKQGNWSUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-16-10(7-12)8-13-5-6-14(11(13)15)9-3-4-9/h5-6,9-10H,2-4,7-8,12H2,1H3.
What are the key properties of 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one?
1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-ethoxypropyl)-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).