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

C10H14N2O2 — CID 80581124

IUPAC1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C10H14N2O2/c1-2-11-5-6-12(10(11)14)7-9(13)8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyURFYZNQEXBDNAL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.65
Rot. Bonds4

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

1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one (PubChem CID 80581124) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one
PubChem CID80581124
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C10H14N2O2/c1-2-11-5-6-12(10(11)14)7-9(13)8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyURFYZNQEXBDNAL-UHFFFAOYSA-N
XLogP0.65
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.65
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-ethylimidazol-2-one?
The IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one (CID 80581124) is 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one?
The canonical SMILES for 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one is CCn1ccn(CC(=O)C2CC2)c1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one?
The InChIKey is URFYZNQEXBDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-11-5-6-12(10(11)14)7-9(13)8-3-4-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one?
1-(2-cyclopropyl-2-oxoethyl)-3-ethylimidazol-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.65, 4 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-ethylimidazol-2-one is sourced from PubChem (CID 80581124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).