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

C9H14N2O2 — CID 154446076

IUPAC3-butanoyl-5-ethyl-1H-imidazol-2-one
SMILESCCCC(=O)n1cc(CC)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-8(12)11-6-7(4-2)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyWKGSASZHGQZTTM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.18
Rot. Bonds3

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

3-butanoyl-5-ethyl-1H-imidazol-2-one (PubChem CID 154446076) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-butanoyl-5-ethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-butanoyl-5-ethyl-1H-imidazol-2-one
PubChem CID154446076
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-butanoyl-5-ethyl-1H-imidazol-2-one
SMILESCCCC(=O)n1cc(CC)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-8(12)11-6-7(4-2)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyWKGSASZHGQZTTM-UHFFFAOYSA-N
XLogP1.18
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 71019090
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019100
1,6-dimethyl-5H-1,3-diazepine-2,4-dione
CID 123185562
5-ethyl-2-oxo-1H-imidazole-3-carboxamide
CID 123391411
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
5-ethyl-3-pentanoyl-1H-imidazol-2-one
CID 154446077
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200
N,N-diethyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629707
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipropylacetamide
CID 23629709

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-5-ethyl-1H-imidazol-2-one?
The IUPAC name of 3-butanoyl-5-ethyl-1H-imidazol-2-one (CID 154446076) is 3-butanoyl-5-ethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-butanoyl-5-ethyl-1H-imidazol-2-one?
The canonical SMILES for 3-butanoyl-5-ethyl-1H-imidazol-2-one is CCCC(=O)n1cc(CC)[nH]c1=O.
What is the InChIKey of 3-butanoyl-5-ethyl-1H-imidazol-2-one?
The InChIKey is WKGSASZHGQZTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-8(12)11-6-7(4-2)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,13).
What are the key properties of 3-butanoyl-5-ethyl-1H-imidazol-2-one?
3-butanoyl-5-ethyl-1H-imidazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-5-ethyl-1H-imidazol-2-one is sourced from PubChem (CID 154446076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).