5-butyl-3-propanoyl-1H-imidazol-2-one

C10H16N2O2 — CID 150924342

IUPAC5-butyl-3-propanoyl-1H-imidazol-2-one
SMILESCCCCc1cn(C(=O)CC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-6-8-7-12(9(13)4-2)10(14)11-8/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyLERSUFHWCUQBMK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.57
Rot. Bonds4

About 5-butyl-3-propanoyl-1H-imidazol-2-one

5-butyl-3-propanoyl-1H-imidazol-2-one (PubChem CID 150924342) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-butyl-3-propanoyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-propanoyl-1H-imidazol-2-one
PubChem CID150924342
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-butyl-3-propanoyl-1H-imidazol-2-one
SMILESCCCCc1cn(C(=O)CC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-6-8-7-12(9(13)4-2)10(14)11-8/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyLERSUFHWCUQBMK-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

5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
1,4-Dibutylimidazol-2-one
CID 15405728
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
5-butyl-3-methyl-1H-imidazol-2-one
CID 18384537
3-butyl-5-pentyl-1H-imidazol-2-one
CID 18384587
5-butyl-3-tert-butyl-1H-imidazol-2-one
CID 18384686
5-butyl-3-(2,2-dimethylpropyl)-1H-imidazol-2-one
CID 18384747
5-butyl-3-ethyl-1H-imidazol-2-one
CID 18384768
5-butyl-3-pentyl-1H-imidazol-2-one
CID 18384821
5-butyl-3-propyl-1H-imidazol-2-one
CID 18384835
3,5-dipentyl-1H-imidazol-2-one
CID 71295723
5-hexyl-3-propanoyl-1H-imidazol-2-one
CID 152245880

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-propanoyl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-propanoyl-1H-imidazol-2-one (CID 150924342) is 5-butyl-3-propanoyl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-propanoyl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-propanoyl-1H-imidazol-2-one is CCCCc1cn(C(=O)CC)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-propanoyl-1H-imidazol-2-one?
The InChIKey is LERSUFHWCUQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-6-8-7-12(9(13)4-2)10(14)11-8/h7H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 5-butyl-3-propanoyl-1H-imidazol-2-one?
5-butyl-3-propanoyl-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-butyl-3-propanoyl-1H-imidazol-2-one is sourced from PubChem (CID 150924342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).