hept-5-en-2-yldiazene

C7H14N2 — CID 123661445

IUPAChept-5-en-2-yldiazene
SMILES[H]/N=N/C(C)CCC=CC
InChIInChI=1S/C7H14N2/c1-3-4-5-6-7(2)9-8/h3-4,7-8H,5-6H2,1-2H3/b4-3?,9-8+
InChIKeyXUVUSGCQADVNJU-UCNKFEGYSA-N
MW126.20 g/mol
LogP2.76
Rot. Bonds4

About hept-5-en-2-yldiazene

hept-5-en-2-yldiazene (PubChem CID 123661445) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is hept-5-en-2-yldiazene.

Molecular Properties

Compound Namehept-5-en-2-yldiazene
PubChem CID123661445
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namehept-5-en-2-yldiazene
SMILES[H]/N=N/C(C)CCC=CC
InChIInChI=1S/C7H14N2/c1-3-4-5-6-7(2)9-8/h3-4,7-8H,5-6H2,1-2H3/b4-3?,9-8+
InChIKeyXUVUSGCQADVNJU-UCNKFEGYSA-N
XLogP2.76
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 hept-5-en-2-yldiazene?
The IUPAC name of hept-5-en-2-yldiazene (CID 123661445) is hept-5-en-2-yldiazene.
What is the SMILES notation for hept-5-en-2-yldiazene?
The canonical SMILES for hept-5-en-2-yldiazene is [H]/N=N/C(C)CCC=CC.
What is the InChIKey of hept-5-en-2-yldiazene?
The InChIKey is XUVUSGCQADVNJU-UCNKFEGYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-5-6-7(2)9-8/h3-4,7-8H,5-6H2,1-2H3/b4-3?,9-8+.
What are the key properties of hept-5-en-2-yldiazene?
hept-5-en-2-yldiazene has a molecular weight of 126.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-5-en-2-yldiazene is sourced from PubChem (CID 123661445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).