(2E,4E,6R)-6-azidohepta-2,4-dienenitrile

C7H8N4 — CID 11833050

IUPAC(2E,4E,6R)-6-azidohepta-2,4-dienenitrile
SMILESC[C@H](/C=C/C=C/C#N)N=[N+]=[N-]
InChIInChI=1S/C7H8N4/c1-7(10-11-9)5-3-2-4-6-8/h2-5,7H,1H3/b4-2+,5-3+/t7-/m1/s1
InChIKeyTUAQRCDZTVUFMS-QSQUIAHRSA-N
MW148.17 g/mol
LogP2.32
Rot. Bonds3

About (2E,4E,6R)-6-azidohepta-2,4-dienenitrile

(2E,4E,6R)-6-azidohepta-2,4-dienenitrile (PubChem CID 11833050) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is (2E,4E,6R)-6-azidohepta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E,6R)-6-azidohepta-2,4-dienenitrile
PubChem CID11833050
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name(2E,4E,6R)-6-azidohepta-2,4-dienenitrile
SMILESC[C@H](/C=C/C=C/C#N)N=[N+]=[N-]
InChIInChI=1S/C7H8N4/c1-7(10-11-9)5-3-2-4-6-8/h2-5,7H,1H3/b4-2+,5-3+/t7-/m1/s1
InChIKeyTUAQRCDZTVUFMS-QSQUIAHRSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R)-6-azidohepta-2,4-dienenitrile?
The IUPAC name of (2E,4E,6R)-6-azidohepta-2,4-dienenitrile (CID 11833050) is (2E,4E,6R)-6-azidohepta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E,6R)-6-azidohepta-2,4-dienenitrile?
The canonical SMILES for (2E,4E,6R)-6-azidohepta-2,4-dienenitrile is C[C@H](/C=C/C=C/C#N)N=[N+]=[N-].
What is the InChIKey of (2E,4E,6R)-6-azidohepta-2,4-dienenitrile?
The InChIKey is TUAQRCDZTVUFMS-QSQUIAHRSA-N. The full InChI is InChI=1S/C7H8N4/c1-7(10-11-9)5-3-2-4-6-8/h2-5,7H,1H3/b4-2+,5-3+/t7-/m1/s1.
What are the key properties of (2E,4E,6R)-6-azidohepta-2,4-dienenitrile?
(2E,4E,6R)-6-azidohepta-2,4-dienenitrile has a molecular weight of 148.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R)-6-azidohepta-2,4-dienenitrile is sourced from PubChem (CID 11833050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).