cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen

C8H12N2O — CID 164859295

IUPACcyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen
SMILESO=C(c1ncc[nH]1)C1CCC1.[H][H]
InChIInChI=1S/C8H10N2O.H2/c11-7(6-2-1-3-6)8-9-4-5-10-8;/h4-6H,1-3H2,(H,9,10);1H
InChIKeyOFVGTIKGGIITIO-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.64
Rot. Bonds2

About cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen

cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen (PubChem CID 164859295) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen.

Molecular Properties

Compound Namecyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen
PubChem CID164859295
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Namecyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen
SMILESO=C(c1ncc[nH]1)C1CCC1.[H][H]
InChIInChI=1S/C8H10N2O.H2/c11-7(6-2-1-3-6)8-9-4-5-10-8;/h4-6H,1-3H2,(H,9,10);1H
InChIKeyOFVGTIKGGIITIO-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen?
The IUPAC name of cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen (CID 164859295) is cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen.
What is the SMILES notation for cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen?
The canonical SMILES for cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen is O=C(c1ncc[nH]1)C1CCC1.[H][H].
What is the InChIKey of cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen?
The InChIKey is OFVGTIKGGIITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.H2/c11-7(6-2-1-3-6)8-9-4-5-10-8;/h4-6H,1-3H2,(H,9,10);1H.
What are the key properties of cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen?
cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen has a molecular weight of 152.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen is sourced from PubChem (CID 164859295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).