1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one

C11H16N2O2 — CID 80581486

IUPAC1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-2-5-12-6-7-13(11(12)15)8-10(14)9-3-4-9/h6-7,9H,2-5,8H2,1H3
InChIKeyYEYBSTSOPXUDAW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds5

About 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one

1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one (PubChem CID 80581486) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one
PubChem CID80581486
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-2-5-12-6-7-13(11(12)15)8-10(14)9-3-4-9/h6-7,9H,2-5,8H2,1H3
InChIKeyYEYBSTSOPXUDAW-UHFFFAOYSA-N
XLogP1.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one (CID 80581486) is 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one is CCCn1ccn(CC(=O)C2CC2)c1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one?
The InChIKey is YEYBSTSOPXUDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-5-12-6-7-13(11(12)15)8-10(14)9-3-4-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one?
1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-oxoethyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80581486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).