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

C7H9ClN2O — CID 136574229

IUPAC3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride
SMILESCl.O=C1CC(c2ncc[nH]2)C1
InChIInChI=1S/C7H8N2O.ClH/c10-6-3-5(4-6)7-8-1-2-9-7;/h1-2,5H,3-4H2,(H,8,9);1H
InChIKeyYQMQCEUJOYWWDC-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.28
Rot. Bonds1

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

3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride (PubChem CID 136574229) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride
PubChem CID136574229
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride
SMILESCl.O=C1CC(c2ncc[nH]2)C1
InChIInChI=1S/C7H8N2O.ClH/c10-6-3-5(4-6)7-8-1-2-9-7;/h1-2,5H,3-4H2,(H,8,9);1H
InChIKeyYQMQCEUJOYWWDC-UHFFFAOYSA-N
XLogP1.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.28
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;hydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride (CID 136574229) is 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride is Cl.O=C1CC(c2ncc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride?
The InChIKey is YQMQCEUJOYWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.ClH/c10-6-3-5(4-6)7-8-1-2-9-7;/h1-2,5H,3-4H2,(H,8,9);1H.
What are the key properties of 3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride?
3-(1H-imidazol-2-yl)cyclobutan-1-one;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 136574229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).