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

C11H18N2O2 — CID 154446074

IUPAC3-butanoyl-5-butyl-1H-imidazol-2-one
SMILESCCCCc1cn(C(=O)CCC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-5-7-9-8-13(11(15)12-9)10(14)6-4-2/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeySEWORZRHFNPCSC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.96
Rot. Bonds5

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

3-butanoyl-5-butyl-1H-imidazol-2-one (PubChem CID 154446074) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-butanoyl-5-butyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-butanoyl-5-butyl-1H-imidazol-2-one
PubChem CID154446074
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-butanoyl-5-butyl-1H-imidazol-2-one
SMILESCCCCc1cn(C(=O)CCC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-5-7-9-8-13(11(15)12-9)10(14)6-4-2/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeySEWORZRHFNPCSC-UHFFFAOYSA-N
XLogP1.96
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.96
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
3-butyl-5-pentyl-1H-imidazol-2-one
CID 18384587
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-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-ethyl-1H-imidazol-2-one
CID 154446076
5-ethyl-3-pentanoyl-1H-imidazol-2-one
CID 154446077

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-5-butyl-1H-imidazol-2-one?
The IUPAC name of 3-butanoyl-5-butyl-1H-imidazol-2-one (CID 154446074) is 3-butanoyl-5-butyl-1H-imidazol-2-one.
What is the SMILES notation for 3-butanoyl-5-butyl-1H-imidazol-2-one?
The canonical SMILES for 3-butanoyl-5-butyl-1H-imidazol-2-one is CCCCc1cn(C(=O)CCC)c(=O)[nH]1.
What is the InChIKey of 3-butanoyl-5-butyl-1H-imidazol-2-one?
The InChIKey is SEWORZRHFNPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-7-9-8-13(11(15)12-9)10(14)6-4-2/h8H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 3-butanoyl-5-butyl-1H-imidazol-2-one?
3-butanoyl-5-butyl-1H-imidazol-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-5-butyl-1H-imidazol-2-one is sourced from PubChem (CID 154446074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).