4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one

C9H14N2O3 — CID 70463526

IUPAC4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one
SMILESCCOCc1[nH]c(=O)[nH]c1C(=O)CC
InChIInChI=1S/C9H14N2O3/c1-3-7(12)8-6(5-14-4-2)10-9(13)11-8/h3-5H2,1-2H3,(H2,10,11,13)
InChIKeyQPHCYBPRCPKURR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.83
Rot. Bonds5

About 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one

4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one (PubChem CID 70463526) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one
PubChem CID70463526
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one
SMILESCCOCc1[nH]c(=O)[nH]c1C(=O)CC
InChIInChI=1S/C9H14N2O3/c1-3-7(12)8-6(5-14-4-2)10-9(13)11-8/h3-5H2,1-2H3,(H2,10,11,13)
InChIKeyQPHCYBPRCPKURR-UHFFFAOYSA-N
XLogP0.83
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one (CID 70463526) is 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one is CCOCc1[nH]c(=O)[nH]c1C(=O)CC.
What is the InChIKey of 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one?
The InChIKey is QPHCYBPRCPKURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7(12)8-6(5-14-4-2)10-9(13)11-8/h3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one?
4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-5-propanoyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 70463526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).