3-(diazomethyl)cyclopentene

C6H8N2 — CID 86103420

IUPAC3-(diazomethyl)cyclopentene
SMILES[N-]=[N+]=CC1C=CCC1
InChIInChI=1S/C6H8N2/c7-8-5-6-3-1-2-4-6/h1,3,5-6H,2,4H2
InChIKeyIPSPPJSGTIYYAV-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.25
Rot. Bonds1

About 3-(diazomethyl)cyclopentene

3-(diazomethyl)cyclopentene (PubChem CID 86103420) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-(diazomethyl)cyclopentene.

Molecular Properties

Compound Name3-(diazomethyl)cyclopentene
PubChem CID86103420
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-(diazomethyl)cyclopentene
SMILES[N-]=[N+]=CC1C=CCC1
InChIInChI=1S/C6H8N2/c7-8-5-6-3-1-2-4-6/h1,3,5-6H,2,4H2
InChIKeyIPSPPJSGTIYYAV-UHFFFAOYSA-N
XLogP1.25
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 3-(diazomethyl)cyclopentene?
The IUPAC name of 3-(diazomethyl)cyclopentene (CID 86103420) is 3-(diazomethyl)cyclopentene.
What is the SMILES notation for 3-(diazomethyl)cyclopentene?
The canonical SMILES for 3-(diazomethyl)cyclopentene is [N-]=[N+]=CC1C=CCC1.
What is the InChIKey of 3-(diazomethyl)cyclopentene?
The InChIKey is IPSPPJSGTIYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-8-5-6-3-1-2-4-6/h1,3,5-6H,2,4H2.
What are the key properties of 3-(diazomethyl)cyclopentene?
3-(diazomethyl)cyclopentene has a molecular weight of 108.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diazomethyl)cyclopentene is sourced from PubChem (CID 86103420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).