4-(2-oxobutyl)-1,3-dihydroimidazol-2-one

C7H10N2O2 — CID 89228982

IUPAC4-(2-oxobutyl)-1,3-dihydroimidazol-2-one
SMILESCCC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-6(10)3-5-4-8-7(11)9-5/h4H,2-3H2,1H3,(H2,8,9,11)
InChIKeyCKMFBYBRVHLJHA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.22
Rot. Bonds3

About 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one

4-(2-oxobutyl)-1,3-dihydroimidazol-2-one (PubChem CID 89228982) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-oxobutyl)-1,3-dihydroimidazol-2-one
PubChem CID89228982
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-(2-oxobutyl)-1,3-dihydroimidazol-2-one
SMILESCCC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-6(10)3-5-4-8-7(11)9-5/h4H,2-3H2,1H3,(H2,8,9,11)
InChIKeyCKMFBYBRVHLJHA-UHFFFAOYSA-N
XLogP0.22
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one (CID 89228982) is 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one is CCC(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one?
The InChIKey is CKMFBYBRVHLJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6(10)3-5-4-8-7(11)9-5/h4H,2-3H2,1H3,(H2,8,9,11).
What are the key properties of 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one?
4-(2-oxobutyl)-1,3-dihydroimidazol-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxobutyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 89228982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).