2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate

C11H11N3O3 — CID 19078866

IUPAC2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc2nn(O)nc2c1
InChIInChI=1S/C11H11N3O3/c1-2-11(15)17-6-5-8-3-4-9-10(7-8)13-14(16)12-9/h2-4,7,16H,1,5-6H2
InChIKeyHCRRYUZOBAOCQS-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate

2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate (PubChem CID 19078866) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate
PubChem CID19078866
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc2nn(O)nc2c1
InChIInChI=1S/C11H11N3O3/c1-2-11(15)17-6-5-8-3-4-9-10(7-8)13-14(16)12-9/h2-4,7,16H,1,5-6H2
InChIKeyHCRRYUZOBAOCQS-UHFFFAOYSA-N
XLogP0.94
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxybenzotriazol-5-yl)ethyl 2-methylprop-2-enoate
CID 139707339
2-[2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]naphthalen-2-yl]benzotriazol-5-yl]ethyl prop-2-enoate
CID 20710201
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
3-[4-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propyl prop-2-enoate
CID 22034026
2-[3-tert-butyl-4-hydroxy-5-(5-methoxybenzotriazol-2-yl)phenyl]ethyl prop-2-enoate
CID 139631334
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
2-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]ethyl prop-2-enoate
CID 141065796
2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275
2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
CID 123669497

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate (CID 19078866) is 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate is C=CC(=O)OCCc1ccc2nn(O)nc2c1.
What is the InChIKey of 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate?
The InChIKey is HCRRYUZOBAOCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-11(15)17-6-5-8-3-4-9-10(7-8)13-14(16)12-9/h2-4,7,16H,1,5-6H2.
What are the key properties of 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate?
2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate has a molecular weight of 233.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate is sourced from PubChem (CID 19078866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).