cyclohexyl 2-(benzotriazol-1-yl)acetate

C14H17N3O2 — CID 102603743

IUPACcyclohexyl 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OC1CCCCC1
InChIInChI=1S/C14H17N3O2/c18-14(19-11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyVZOGRIKIBIPLLL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds3

About cyclohexyl 2-(benzotriazol-1-yl)acetate

cyclohexyl 2-(benzotriazol-1-yl)acetate (PubChem CID 102603743) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cyclohexyl 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(benzotriazol-1-yl)acetate
PubChem CID102603743
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecyclohexyl 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OC1CCCCC1
InChIInChI=1S/C14H17N3O2/c18-14(19-11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyVZOGRIKIBIPLLL-UHFFFAOYSA-N
XLogP2.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
cyclohexyl 2-carbazol-9-ylacetate
CID 12010465
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
cyclohexyl 4-(benzimidazol-1-yl)butanoate
CID 58743722
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate
CID 55374047
2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 122255465
cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate
CID 126468283

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(benzotriazol-1-yl)acetate?
The IUPAC name of cyclohexyl 2-(benzotriazol-1-yl)acetate (CID 102603743) is cyclohexyl 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for cyclohexyl 2-(benzotriazol-1-yl)acetate is O=C(Cn1nnc2ccccc21)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(benzotriazol-1-yl)acetate?
The InChIKey is VZOGRIKIBIPLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19-11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of cyclohexyl 2-(benzotriazol-1-yl)acetate?
cyclohexyl 2-(benzotriazol-1-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 102603743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).