tert-butyl(cyclopent-3-en-1-yl)diazene

C9H16N2 — CID 12576825

IUPACtert-butyl(cyclopent-3-en-1-yl)diazene
SMILESCC(C)(C)/N=N/C1CC=CC1
InChIInChI=1S/C9H16N2/c1-9(2,3)11-10-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3/b11-10+
InChIKeyHQISCRAPDQMWIF-ZHACJKMWSA-N
MW152.24 g/mol
LogP2.96
Rot. Bonds1

About tert-butyl(cyclopent-3-en-1-yl)diazene

tert-butyl(cyclopent-3-en-1-yl)diazene (PubChem CID 12576825) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is tert-butyl(cyclopent-3-en-1-yl)diazene.

Molecular Properties

Compound Nametert-butyl(cyclopent-3-en-1-yl)diazene
PubChem CID12576825
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nametert-butyl(cyclopent-3-en-1-yl)diazene
SMILESCC(C)(C)/N=N/C1CC=CC1
InChIInChI=1S/C9H16N2/c1-9(2,3)11-10-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3/b11-10+
InChIKeyHQISCRAPDQMWIF-ZHACJKMWSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
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 tert-butyl(cyclopent-3-en-1-yl)diazene?
The IUPAC name of tert-butyl(cyclopent-3-en-1-yl)diazene (CID 12576825) is tert-butyl(cyclopent-3-en-1-yl)diazene.
What is the SMILES notation for tert-butyl(cyclopent-3-en-1-yl)diazene?
The canonical SMILES for tert-butyl(cyclopent-3-en-1-yl)diazene is CC(C)(C)/N=N/C1CC=CC1.
What is the InChIKey of tert-butyl(cyclopent-3-en-1-yl)diazene?
The InChIKey is HQISCRAPDQMWIF-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)11-10-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3/b11-10+.
What are the key properties of tert-butyl(cyclopent-3-en-1-yl)diazene?
tert-butyl(cyclopent-3-en-1-yl)diazene has a molecular weight of 152.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(cyclopent-3-en-1-yl)diazene is sourced from PubChem (CID 12576825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).