2-[(E)-pent-3-en-2-yl]benzotriazole

C11H13N3 — CID 56654211

IUPAC2-[(E)-pent-3-en-2-yl]benzotriazole
SMILESC/C=C/C(C)n1nc2ccccc2n1
InChIInChI=1S/C11H13N3/c1-3-6-9(2)14-12-10-7-4-5-8-11(10)13-14/h3-9H,1-2H3/b6-3+
InChIKeyABHDDSJELZKPSE-ZZXKWVIFSA-N
MW187.25 g/mol
LogP2.57
Rot. Bonds2

About 2-[(E)-pent-3-en-2-yl]benzotriazole

2-[(E)-pent-3-en-2-yl]benzotriazole (PubChem CID 56654211) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(E)-pent-3-en-2-yl]benzotriazole.

Molecular Properties

Compound Name2-[(E)-pent-3-en-2-yl]benzotriazole
PubChem CID56654211
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[(E)-pent-3-en-2-yl]benzotriazole
SMILESC/C=C/C(C)n1nc2ccccc2n1
InChIInChI=1S/C11H13N3/c1-3-6-9(2)14-12-10-7-4-5-8-11(10)13-14/h3-9H,1-2H3/b6-3+
InChIKeyABHDDSJELZKPSE-ZZXKWVIFSA-N
XLogP2.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-3-en-2-yl]benzotriazole?
The IUPAC name of 2-[(E)-pent-3-en-2-yl]benzotriazole (CID 56654211) is 2-[(E)-pent-3-en-2-yl]benzotriazole.
What is the SMILES notation for 2-[(E)-pent-3-en-2-yl]benzotriazole?
The canonical SMILES for 2-[(E)-pent-3-en-2-yl]benzotriazole is C/C=C/C(C)n1nc2ccccc2n1.
What is the InChIKey of 2-[(E)-pent-3-en-2-yl]benzotriazole?
The InChIKey is ABHDDSJELZKPSE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-6-9(2)14-12-10-7-4-5-8-11(10)13-14/h3-9H,1-2H3/b6-3+.
What are the key properties of 2-[(E)-pent-3-en-2-yl]benzotriazole?
2-[(E)-pent-3-en-2-yl]benzotriazole has a molecular weight of 187.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-3-en-2-yl]benzotriazole is sourced from PubChem (CID 56654211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).