(Z)-4-azidopent-2-enenitrile

C5H6N4 — CID 11007882

IUPAC(Z)-4-azidopent-2-enenitrile
SMILESCC(/C=C\C#N)N=[N+]=[N-]
InChIInChI=1S/C5H6N4/c1-5(8-9-7)3-2-4-6/h2-3,5H,1H3/b3-2-
InChIKeyAFYTWYOAJKURPM-IHWYPQMZSA-N
MW122.13 g/mol
LogP1.76
Rot. Bonds2

About (Z)-4-azidopent-2-enenitrile

(Z)-4-azidopent-2-enenitrile (PubChem CID 11007882) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is (Z)-4-azidopent-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-azidopent-2-enenitrile
PubChem CID11007882
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name(Z)-4-azidopent-2-enenitrile
SMILESCC(/C=C\C#N)N=[N+]=[N-]
InChIInChI=1S/C5H6N4/c1-5(8-9-7)3-2-4-6/h2-3,5H,1H3/b3-2-
InChIKeyAFYTWYOAJKURPM-IHWYPQMZSA-N
XLogP1.76
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.76
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 (Z)-4-azidopent-2-enenitrile?
The IUPAC name of (Z)-4-azidopent-2-enenitrile (CID 11007882) is (Z)-4-azidopent-2-enenitrile.
What is the SMILES notation for (Z)-4-azidopent-2-enenitrile?
The canonical SMILES for (Z)-4-azidopent-2-enenitrile is CC(/C=C\C#N)N=[N+]=[N-].
What is the InChIKey of (Z)-4-azidopent-2-enenitrile?
The InChIKey is AFYTWYOAJKURPM-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H6N4/c1-5(8-9-7)3-2-4-6/h2-3,5H,1H3/b3-2-.
What are the key properties of (Z)-4-azidopent-2-enenitrile?
(Z)-4-azidopent-2-enenitrile has a molecular weight of 122.13 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-azidopent-2-enenitrile is sourced from PubChem (CID 11007882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).