(E)-4-azidohept-2-enenitrile

C7H10N4 — CID 11126437

IUPAC(E)-4-azidohept-2-enenitrile
SMILESCCCC(/C=C/C#N)N=[N+]=[N-]
InChIInChI=1S/C7H10N4/c1-2-4-7(10-11-9)5-3-6-8/h3,5,7H,2,4H2,1H3/b5-3+
InChIKeyOMWKPYBMIGZRLX-HWKANZROSA-N
MW150.19 g/mol
LogP2.55
Rot. Bonds4

About (E)-4-azidohept-2-enenitrile

(E)-4-azidohept-2-enenitrile (PubChem CID 11126437) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is (E)-4-azidohept-2-enenitrile.

Molecular Properties

Compound Name(E)-4-azidohept-2-enenitrile
PubChem CID11126437
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name(E)-4-azidohept-2-enenitrile
SMILESCCCC(/C=C/C#N)N=[N+]=[N-]
InChIInChI=1S/C7H10N4/c1-2-4-7(10-11-9)5-3-6-8/h3,5,7H,2,4H2,1H3/b5-3+
InChIKeyOMWKPYBMIGZRLX-HWKANZROSA-N
XLogP2.55
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.55
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-azidohept-2-enenitrile?
The IUPAC name of (E)-4-azidohept-2-enenitrile (CID 11126437) is (E)-4-azidohept-2-enenitrile.
What is the SMILES notation for (E)-4-azidohept-2-enenitrile?
The canonical SMILES for (E)-4-azidohept-2-enenitrile is CCCC(/C=C/C#N)N=[N+]=[N-].
What is the InChIKey of (E)-4-azidohept-2-enenitrile?
The InChIKey is OMWKPYBMIGZRLX-HWKANZROSA-N. The full InChI is InChI=1S/C7H10N4/c1-2-4-7(10-11-9)5-3-6-8/h3,5,7H,2,4H2,1H3/b5-3+.
What are the key properties of (E)-4-azidohept-2-enenitrile?
(E)-4-azidohept-2-enenitrile has a molecular weight of 150.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-azidohept-2-enenitrile is sourced from PubChem (CID 11126437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).