(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate

C10H16N2O3 — CID 66664733

IUPAC(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1N(C)C=CN1C
InChIInChI=1S/C10H16N2O3/c1-8(13)4-5-9(14)15-10-11(2)6-7-12(10)3/h6-7,10H,4-5H2,1-3H3
InChIKeyVJYLBOQYNJCZAE-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.53
Rot. Bonds4

About (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate

(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate (PubChem CID 66664733) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate.

Molecular Properties

Compound Name(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate
PubChem CID66664733
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1N(C)C=CN1C
InChIInChI=1S/C10H16N2O3/c1-8(13)4-5-9(14)15-10-11(2)6-7-12(10)3/h6-7,10H,4-5H2,1-3H3
InChIKeyVJYLBOQYNJCZAE-UHFFFAOYSA-N
XLogP0.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate?
The IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate (CID 66664733) is (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate.
What is the SMILES notation for (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate?
The canonical SMILES for (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate is CC(=O)CCC(=O)OC1N(C)C=CN1C.
What is the InChIKey of (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate?
The InChIKey is VJYLBOQYNJCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(13)4-5-9(14)15-10-11(2)6-7-12(10)3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate?
(1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate has a molecular weight of 212.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-imidazol-2-yl) 4-oxopentanoate is sourced from PubChem (CID 66664733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).