methyl-[(1R,2R)-2-phenylcyclopropyl]diazene

C10H12N2 — CID 134983973

IUPACmethyl-[(1R,2R)-2-phenylcyclopropyl]diazene
SMILESC/N=N/[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H12N2/c1-11-12-10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/b12-11+/t9-,10-/m1/s1
InChIKeyWAOPHZOHVOQFHJ-PMBNAOTOSA-N
MW160.22 g/mol
LogP2.62
Rot. Bonds2

About methyl-[(1R,2R)-2-phenylcyclopropyl]diazene

methyl-[(1R,2R)-2-phenylcyclopropyl]diazene (PubChem CID 134983973) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is methyl-[(1R,2R)-2-phenylcyclopropyl]diazene.

Molecular Properties

Compound Namemethyl-[(1R,2R)-2-phenylcyclopropyl]diazene
PubChem CID134983973
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Namemethyl-[(1R,2R)-2-phenylcyclopropyl]diazene
SMILESC/N=N/[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H12N2/c1-11-12-10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/b12-11+/t9-,10-/m1/s1
InChIKeyWAOPHZOHVOQFHJ-PMBNAOTOSA-N
XLogP2.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.62
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-[(1R,2R)-2-phenylcyclopropyl]diazene?
The IUPAC name of methyl-[(1R,2R)-2-phenylcyclopropyl]diazene (CID 134983973) is methyl-[(1R,2R)-2-phenylcyclopropyl]diazene.
What is the SMILES notation for methyl-[(1R,2R)-2-phenylcyclopropyl]diazene?
The canonical SMILES for methyl-[(1R,2R)-2-phenylcyclopropyl]diazene is C/N=N/[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of methyl-[(1R,2R)-2-phenylcyclopropyl]diazene?
The InChIKey is WAOPHZOHVOQFHJ-PMBNAOTOSA-N. The full InChI is InChI=1S/C10H12N2/c1-11-12-10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/b12-11+/t9-,10-/m1/s1.
What are the key properties of methyl-[(1R,2R)-2-phenylcyclopropyl]diazene?
methyl-[(1R,2R)-2-phenylcyclopropyl]diazene has a molecular weight of 160.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R,2R)-2-phenylcyclopropyl]diazene is sourced from PubChem (CID 134983973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).