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

C7H9N3O — CID 101042092

IUPAC(2E,4E,6R)-6-azidohepta-2,4-dienal
SMILESC[C@H](/C=C/C=C/C=O)N=[N+]=[N-]
InChIInChI=1S/C7H9N3O/c1-7(9-10-8)5-3-2-4-6-11/h2-7H,1H3/b4-2+,5-3+/t7-/m1/s1
InChIKeyYAUAVEISGIUNKS-QSQUIAHRSA-N
MW151.17 g/mol
LogP2.00
Rot. Bonds4

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

(2E,4E,6R)-6-azidohepta-2,4-dienal (PubChem CID 101042092) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is (2E,4E,6R)-6-azidohepta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,6R)-6-azidohepta-2,4-dienal
PubChem CID101042092
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name(2E,4E,6R)-6-azidohepta-2,4-dienal
SMILESC[C@H](/C=C/C=C/C=O)N=[N+]=[N-]
InChIInChI=1S/C7H9N3O/c1-7(9-10-8)5-3-2-4-6-11/h2-7H,1H3/b4-2+,5-3+/t7-/m1/s1
InChIKeyYAUAVEISGIUNKS-QSQUIAHRSA-N
XLogP2.00
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 (2E,4E,6R)-6-azidohepta-2,4-dienal?
The IUPAC name of (2E,4E,6R)-6-azidohepta-2,4-dienal (CID 101042092) is (2E,4E,6R)-6-azidohepta-2,4-dienal.
What is the SMILES notation for (2E,4E,6R)-6-azidohepta-2,4-dienal?
The canonical SMILES for (2E,4E,6R)-6-azidohepta-2,4-dienal is C[C@H](/C=C/C=C/C=O)N=[N+]=[N-].
What is the InChIKey of (2E,4E,6R)-6-azidohepta-2,4-dienal?
The InChIKey is YAUAVEISGIUNKS-QSQUIAHRSA-N. The full InChI is InChI=1S/C7H9N3O/c1-7(9-10-8)5-3-2-4-6-11/h2-7H,1H3/b4-2+,5-3+/t7-/m1/s1.
What are the key properties of (2E,4E,6R)-6-azidohepta-2,4-dienal?
(2E,4E,6R)-6-azidohepta-2,4-dienal has a molecular weight of 151.17 g/mol, XLogP of 2.00, 4 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-dienal is sourced from PubChem (CID 101042092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).