5-ethyl-3-pentanoyl-1H-imidazol-2-one

C10H16N2O2 — CID 154446077

IUPAC5-ethyl-3-pentanoyl-1H-imidazol-2-one
SMILESCCCCC(=O)n1cc(CC)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-6-9(13)12-7-8(4-2)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyGBXWGZRTIMJMBG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.57
Rot. Bonds4

About 5-ethyl-3-pentanoyl-1H-imidazol-2-one

5-ethyl-3-pentanoyl-1H-imidazol-2-one (PubChem CID 154446077) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-ethyl-3-pentanoyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-ethyl-3-pentanoyl-1H-imidazol-2-one
PubChem CID154446077
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-ethyl-3-pentanoyl-1H-imidazol-2-one
SMILESCCCCC(=O)n1cc(CC)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-6-9(13)12-7-8(4-2)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyGBXWGZRTIMJMBG-UHFFFAOYSA-N
XLogP1.57
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide
CID 141029696
5-butyl-3-propanoyl-1H-imidazol-2-one
CID 150924342
5-hexyl-3-propanoyl-1H-imidazol-2-one
CID 152245880
3-butanoyl-5-hexyl-1H-imidazol-2-one
CID 152460086
3-butanoyl-5-butyl-1H-imidazol-2-one
CID 154446074
3-butanoyl-5-ethyl-1H-imidazol-2-one
CID 154446076
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide
CID 23629743
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide
CID 23629744
N-butanoyl-5-methyl-2,3-dihydropyrrole-1-carboxamide
CID 143356012

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-pentanoyl-1H-imidazol-2-one?
The IUPAC name of 5-ethyl-3-pentanoyl-1H-imidazol-2-one (CID 154446077) is 5-ethyl-3-pentanoyl-1H-imidazol-2-one.
What is the SMILES notation for 5-ethyl-3-pentanoyl-1H-imidazol-2-one?
The canonical SMILES for 5-ethyl-3-pentanoyl-1H-imidazol-2-one is CCCCC(=O)n1cc(CC)[nH]c1=O.
What is the InChIKey of 5-ethyl-3-pentanoyl-1H-imidazol-2-one?
The InChIKey is GBXWGZRTIMJMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-6-9(13)12-7-8(4-2)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 5-ethyl-3-pentanoyl-1H-imidazol-2-one?
5-ethyl-3-pentanoyl-1H-imidazol-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-pentanoyl-1H-imidazol-2-one is sourced from PubChem (CID 154446077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).