2-(benzotriazol-1-yl)-1-cyclopropylethanone

C11H11N3O — CID 698837

IUPAC2-(benzotriazol-1-yl)-1-cyclopropylethanone
SMILESO=C(Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C11H11N3O/c15-11(8-5-6-8)7-14-10-4-2-1-3-9(10)12-13-14/h1-4,8H,5-7H2
InChIKeyFSKWTFJYVNPIJB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.41
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-cyclopropylethanone

2-(benzotriazol-1-yl)-1-cyclopropylethanone (PubChem CID 698837) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-cyclopropylethanone
PubChem CID698837
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(benzotriazol-1-yl)-1-cyclopropylethanone
SMILESO=C(Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C11H11N3O/c15-11(8-5-6-8)7-14-10-4-2-1-3-9(10)12-13-14/h1-4,8H,5-7H2
InChIKeyFSKWTFJYVNPIJB-UHFFFAOYSA-N
XLogP1.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-cyclopropylethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-cyclopropylethanone (CID 698837) is 2-(benzotriazol-1-yl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-cyclopropylethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-cyclopropylethanone is O=C(Cn1nnc2ccccc21)C1CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-cyclopropylethanone?
The InChIKey is FSKWTFJYVNPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11(8-5-6-8)7-14-10-4-2-1-3-9(10)12-13-14/h1-4,8H,5-7H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-cyclopropylethanone?
2-(benzotriazol-1-yl)-1-cyclopropylethanone has a molecular weight of 201.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-cyclopropylethanone is sourced from PubChem (CID 698837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).