(E)-6-phenylmethoxyhex-2-enoyl azide

C13H15N3O2 — CID 134871454

IUPAC(E)-6-phenylmethoxyhex-2-enoyl azide
SMILES[N-]=[N+]=NC(=O)/C=C/CCCOCc1ccccc1
InChIInChI=1S/C13H15N3O2/c14-16-15-13(17)9-5-2-6-10-18-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2/b9-5+
InChIKeyAILUZJYWSPHWSC-WEVVVXLNSA-N
MW245.28 g/mol
LogP3.38
Rot. Bonds7

About (E)-6-phenylmethoxyhex-2-enoyl azide

(E)-6-phenylmethoxyhex-2-enoyl azide (PubChem CID 134871454) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (E)-6-phenylmethoxyhex-2-enoyl azide.

Molecular Properties

Compound Name(E)-6-phenylmethoxyhex-2-enoyl azide
PubChem CID134871454
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(E)-6-phenylmethoxyhex-2-enoyl azide
SMILES[N-]=[N+]=NC(=O)/C=C/CCCOCc1ccccc1
InChIInChI=1S/C13H15N3O2/c14-16-15-13(17)9-5-2-6-10-18-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2/b9-5+
InChIKeyAILUZJYWSPHWSC-WEVVVXLNSA-N
XLogP3.38
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-phenylmethoxyhex-2-enoyl azide?
The IUPAC name of (E)-6-phenylmethoxyhex-2-enoyl azide (CID 134871454) is (E)-6-phenylmethoxyhex-2-enoyl azide.
What is the SMILES notation for (E)-6-phenylmethoxyhex-2-enoyl azide?
The canonical SMILES for (E)-6-phenylmethoxyhex-2-enoyl azide is [N-]=[N+]=NC(=O)/C=C/CCCOCc1ccccc1.
What is the InChIKey of (E)-6-phenylmethoxyhex-2-enoyl azide?
The InChIKey is AILUZJYWSPHWSC-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-16-15-13(17)9-5-2-6-10-18-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2/b9-5+.
What are the key properties of (E)-6-phenylmethoxyhex-2-enoyl azide?
(E)-6-phenylmethoxyhex-2-enoyl azide has a molecular weight of 245.28 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-phenylmethoxyhex-2-enoyl azide is sourced from PubChem (CID 134871454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).