1-ethyl-3-propan-2-ylimidazol-2-one

C8H14N2O — CID 54025726

IUPAC1-ethyl-3-propan-2-ylimidazol-2-one
SMILESCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C8H14N2O/c1-4-9-5-6-10(7(2)3)8(9)11/h5-7H,4H2,1-3H3
InChIKeyLCANMPAHZQLFBT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.25
Rot. Bonds2

About 1-ethyl-3-propan-2-ylimidazol-2-one

1-ethyl-3-propan-2-ylimidazol-2-one (PubChem CID 54025726) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-propan-2-ylimidazol-2-one
PubChem CID54025726
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethyl-3-propan-2-ylimidazol-2-one
SMILESCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C8H14N2O/c1-4-9-5-6-10(7(2)3)8(9)11/h5-7H,4H2,1-3H3
InChIKeyLCANMPAHZQLFBT-UHFFFAOYSA-N
XLogP1.25
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-ethyl-3-propan-2-ylimidazol-2-one (CID 54025726) is 1-ethyl-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-ethyl-3-propan-2-ylimidazol-2-one is CCn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-propan-2-ylimidazol-2-one?
The InChIKey is LCANMPAHZQLFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-9-5-6-10(7(2)3)8(9)11/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-ylimidazol-2-one?
1-ethyl-3-propan-2-ylimidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 54025726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).