1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one

C11H18N2O2 — CID 80581007

IUPAC1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one
SMILESCCC(C)C(=O)Cn1ccn(CC)c1=O
InChIInChI=1S/C11H18N2O2/c1-4-9(3)10(14)8-13-7-6-12(5-2)11(13)15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOPTXZVIPZIZHQQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.28
Rot. Bonds5

About 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one

1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one (PubChem CID 80581007) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one
PubChem CID80581007
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one
SMILESCCC(C)C(=O)Cn1ccn(CC)c1=O
InChIInChI=1S/C11H18N2O2/c1-4-9(3)10(14)8-13-7-6-12(5-2)11(13)15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOPTXZVIPZIZHQQ-UHFFFAOYSA-N
XLogP1.28
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one (CID 80581007) is 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one is CCC(C)C(=O)Cn1ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
The InChIKey is OPTXZVIPZIZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9(3)10(14)8-13-7-6-12(5-2)11(13)15/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methyl-2-oxopentyl)imidazol-2-one is sourced from PubChem (CID 80581007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).