(E)-2-azidopent-3-enenitrile

C5H6N4 — CID 24975486

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

About (E)-2-azidopent-3-enenitrile

(E)-2-azidopent-3-enenitrile (PubChem CID 24975486) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is (E)-2-azidopent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-azidopent-3-enenitrile
PubChem CID24975486
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name(E)-2-azidopent-3-enenitrile
SMILESC/C=C/C(C#N)N=[N+]=[N-]
InChIInChI=1S/C5H6N4/c1-2-3-5(4-6)8-9-7/h2-3,5H,1H3/b3-2+
InChIKeyDVOXDSLTGYZZSU-NSCUHMNNSA-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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-2-azidopent-3-enenitrile?
The IUPAC name of (E)-2-azidopent-3-enenitrile (CID 24975486) is (E)-2-azidopent-3-enenitrile.
What is the SMILES notation for (E)-2-azidopent-3-enenitrile?
The canonical SMILES for (E)-2-azidopent-3-enenitrile is C/C=C/C(C#N)N=[N+]=[N-].
What is the InChIKey of (E)-2-azidopent-3-enenitrile?
The InChIKey is DVOXDSLTGYZZSU-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H6N4/c1-2-3-5(4-6)8-9-7/h2-3,5H,1H3/b3-2+.
What are the key properties of (E)-2-azidopent-3-enenitrile?
(E)-2-azidopent-3-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 (E)-2-azidopent-3-enenitrile is sourced from PubChem (CID 24975486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).