1,3-diethyl-4-methylimidazol-2-one

C8H14N2O — CID 150979839

IUPAC1,3-diethyl-4-methylimidazol-2-one
SMILESCCn1cc(C)n(CC)c1=O
InChIInChI=1S/C8H14N2O/c1-4-9-6-7(3)10(5-2)8(9)11/h6H,4-5H2,1-3H3
InChIKeyLPVYSCPOVNQOFD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds2

About 1,3-diethyl-4-methylimidazol-2-one

1,3-diethyl-4-methylimidazol-2-one (PubChem CID 150979839) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,3-diethyl-4-methylimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-methylimidazol-2-one
PubChem CID150979839
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,3-diethyl-4-methylimidazol-2-one
SMILESCCn1cc(C)n(CC)c1=O
InChIInChI=1S/C8H14N2O/c1-4-9-6-7(3)10(5-2)8(9)11/h6H,4-5H2,1-3H3
InChIKeyLPVYSCPOVNQOFD-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-methylimidazol-2-one?
The IUPAC name of 1,3-diethyl-4-methylimidazol-2-one (CID 150979839) is 1,3-diethyl-4-methylimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-4-methylimidazol-2-one?
The canonical SMILES for 1,3-diethyl-4-methylimidazol-2-one is CCn1cc(C)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-4-methylimidazol-2-one?
The InChIKey is LPVYSCPOVNQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-9-6-7(3)10(5-2)8(9)11/h6H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-4-methylimidazol-2-one?
1,3-diethyl-4-methylimidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-methylimidazol-2-one is sourced from PubChem (CID 150979839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).