3-(1H-imidazol-2-yl)cyclobutan-1-one

C7H8N2O — CID 136574230

IUPAC3-(1H-imidazol-2-yl)cyclobutan-1-one
SMILESO=C1CC(c2ncc[nH]2)C1
InChIInChI=1S/C7H8N2O/c10-6-3-5(4-6)7-8-1-2-9-7/h1-2,5H,3-4H2,(H,8,9)
InChIKeyJIZAWIQQSHFNCM-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.86
Rot. Bonds1

About 3-(1H-imidazol-2-yl)cyclobutan-1-one

3-(1H-imidazol-2-yl)cyclobutan-1-one (PubChem CID 136574230) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)cyclobutan-1-one
PubChem CID136574230
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-(1H-imidazol-2-yl)cyclobutan-1-one
SMILESO=C1CC(c2ncc[nH]2)C1
InChIInChI=1S/C7H8N2O/c10-6-3-5(4-6)7-8-1-2-9-7/h1-2,5H,3-4H2,(H,8,9)
InChIKeyJIZAWIQQSHFNCM-UHFFFAOYSA-N
XLogP0.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)cyclobutan-1-one?
The IUPAC name of 3-(1H-imidazol-2-yl)cyclobutan-1-one (CID 136574230) is 3-(1H-imidazol-2-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(1H-imidazol-2-yl)cyclobutan-1-one?
The canonical SMILES for 3-(1H-imidazol-2-yl)cyclobutan-1-one is O=C1CC(c2ncc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-2-yl)cyclobutan-1-one?
The InChIKey is JIZAWIQQSHFNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-6-3-5(4-6)7-8-1-2-9-7/h1-2,5H,3-4H2,(H,8,9).
What are the key properties of 3-(1H-imidazol-2-yl)cyclobutan-1-one?
3-(1H-imidazol-2-yl)cyclobutan-1-one has a molecular weight of 136.15 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)cyclobutan-1-one is sourced from PubChem (CID 136574230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).