1-azidohept-3-ene

C7H13N3 — CID 126551645

IUPAC1-azidohept-3-ene
SMILESCCCC=CCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3/c1-2-3-4-5-6-7-9-10-8/h4-5H,2-3,6-7H2,1H3
InChIKeyJHZBXGVNZFCZPW-UHFFFAOYSA-N
MW139.20 g/mol
LogP3.04
Rot. Bonds5

About 1-azidohept-3-ene

1-azidohept-3-ene (PubChem CID 126551645) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-azidohept-3-ene.

Molecular Properties

Compound Name1-azidohept-3-ene
PubChem CID126551645
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-azidohept-3-ene
SMILESCCCC=CCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3/c1-2-3-4-5-6-7-9-10-8/h4-5H,2-3,6-7H2,1H3
InChIKeyJHZBXGVNZFCZPW-UHFFFAOYSA-N
XLogP3.04
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azidohept-3-ene?
The IUPAC name of 1-azidohept-3-ene (CID 126551645) is 1-azidohept-3-ene.
What is the SMILES notation for 1-azidohept-3-ene?
The canonical SMILES for 1-azidohept-3-ene is CCCC=CCCN=[N+]=[N-].
What is the InChIKey of 1-azidohept-3-ene?
The InChIKey is JHZBXGVNZFCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-3-4-5-6-7-9-10-8/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-azidohept-3-ene?
1-azidohept-3-ene has a molecular weight of 139.20 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidohept-3-ene is sourced from PubChem (CID 126551645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).