(2S)-2-(benzotriazol-2-yl)cyclopentan-1-one

C11H11N3O — CID 40606629

IUPAC(2S)-2-(benzotriazol-2-yl)cyclopentan-1-one
SMILESO=C1CCC[C@@H]1n1nc2ccccc2n1
InChIInChI=1S/C11H11N3O/c15-11-7-3-6-10(11)14-12-8-4-1-2-5-9(8)13-14/h1-2,4-5,10H,3,6-7H2/t10-/m0/s1
InChIKeyARSGFNQXLKEWRW-JTQLQIEISA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds1

About (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one

(2S)-2-(benzotriazol-2-yl)cyclopentan-1-one (PubChem CID 40606629) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(benzotriazol-2-yl)cyclopentan-1-one
PubChem CID40606629
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(2S)-2-(benzotriazol-2-yl)cyclopentan-1-one
SMILESO=C1CCC[C@@H]1n1nc2ccccc2n1
InChIInChI=1S/C11H11N3O/c15-11-7-3-6-10(11)14-12-8-4-1-2-5-9(8)13-14/h1-2,4-5,10H,3,6-7H2/t10-/m0/s1
InChIKeyARSGFNQXLKEWRW-JTQLQIEISA-N
XLogP1.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one?
The IUPAC name of (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one (CID 40606629) is (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one.
What is the SMILES notation for (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one?
The canonical SMILES for (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one is O=C1CCC[C@@H]1n1nc2ccccc2n1.
What is the InChIKey of (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one?
The InChIKey is ARSGFNQXLKEWRW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11N3O/c15-11-7-3-6-10(11)14-12-8-4-1-2-5-9(8)13-14/h1-2,4-5,10H,3,6-7H2/t10-/m0/s1.
What are the key properties of (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one?
(2S)-2-(benzotriazol-2-yl)cyclopentan-1-one has a molecular weight of 201.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzotriazol-2-yl)cyclopentan-1-one is sourced from PubChem (CID 40606629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).