methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene

C7H12N2 — CID 155105350

IUPACmethyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene
SMILESC/N=N/C1(C)C2CC[C@H]21
InChIInChI=1S/C7H12N2/c1-7(9-8-2)5-3-4-6(5)7/h5-6H,3-4H2,1-2H3/b9-8+/t5-,6?,7?/m1/s1
InChIKeyJOKCLPHLWGCRGH-PPGXEACVSA-N
MW124.19 g/mol
LogP1.87
Rot. Bonds1

About methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene

methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene (PubChem CID 155105350) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene.

Molecular Properties

Compound Namemethyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene
PubChem CID155105350
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Namemethyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene
SMILESC/N=N/C1(C)C2CC[C@H]21
InChIInChI=1S/C7H12N2/c1-7(9-8-2)5-3-4-6(5)7/h5-6H,3-4H2,1-2H3/b9-8+/t5-,6?,7?/m1/s1
InChIKeyJOKCLPHLWGCRGH-PPGXEACVSA-N
XLogP1.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.87
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene?
The IUPAC name of methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene (CID 155105350) is methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene.
What is the SMILES notation for methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene?
The canonical SMILES for methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene is C/N=N/C1(C)C2CC[C@H]21.
What is the InChIKey of methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene?
The InChIKey is JOKCLPHLWGCRGH-PPGXEACVSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(9-8-2)5-3-4-6(5)7/h5-6H,3-4H2,1-2H3/b9-8+/t5-,6?,7?/m1/s1.
What are the key properties of methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene?
methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene has a molecular weight of 124.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene is sourced from PubChem (CID 155105350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).