oxolan-2-ylmethyldiazene

C5H10N2O — CID 163832824

IUPACoxolan-2-ylmethyldiazene
SMILES[H]/N=N/CC1CCCO1
InChIInChI=1S/C5H10N2O/c6-7-4-5-2-1-3-8-5/h5-6H,1-4H2/b7-6+
InChIKeyOFDPPNPMXYVAGI-VOTSOKGWSA-N
MW114.15 g/mol
LogP1.20
Rot. Bonds2

About oxolan-2-ylmethyldiazene

oxolan-2-ylmethyldiazene (PubChem CID 163832824) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is oxolan-2-ylmethyldiazene.

Molecular Properties

Compound Nameoxolan-2-ylmethyldiazene
PubChem CID163832824
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Nameoxolan-2-ylmethyldiazene
SMILES[H]/N=N/CC1CCCO1
InChIInChI=1S/C5H10N2O/c6-7-4-5-2-1-3-8-5/h5-6H,1-4H2/b7-6+
InChIKeyOFDPPNPMXYVAGI-VOTSOKGWSA-N
XLogP1.20
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 oxolan-2-ylmethyldiazene?
The IUPAC name of oxolan-2-ylmethyldiazene (CID 163832824) is oxolan-2-ylmethyldiazene.
What is the SMILES notation for oxolan-2-ylmethyldiazene?
The canonical SMILES for oxolan-2-ylmethyldiazene is [H]/N=N/CC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyldiazene?
The InChIKey is OFDPPNPMXYVAGI-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O/c6-7-4-5-2-1-3-8-5/h5-6H,1-4H2/b7-6+.
What are the key properties of oxolan-2-ylmethyldiazene?
oxolan-2-ylmethyldiazene has a molecular weight of 114.15 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyldiazene is sourced from PubChem (CID 163832824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).