chloro-(oxolan-2-yldiazenyl)diazene

C4H7ClN4O — CID 161209736

IUPACchloro-(oxolan-2-yldiazenyl)diazene
SMILESClN=NN=NC1CCCO1
InChIInChI=1S/C4H7ClN4O/c5-7-9-8-6-4-2-1-3-10-4/h4H,1-3H2
InChIKeyKAKOKGULPOVEMJ-UHFFFAOYSA-N
MW162.58 g/mol
LogP2.10
Rot. Bonds2

About chloro-(oxolan-2-yldiazenyl)diazene

chloro-(oxolan-2-yldiazenyl)diazene (PubChem CID 161209736) has the molecular formula C4H7ClN4O and a molecular weight of 162.58 g/mol. Its IUPAC name is chloro-(oxolan-2-yldiazenyl)diazene.

Molecular Properties

Compound Namechloro-(oxolan-2-yldiazenyl)diazene
PubChem CID161209736
Molecular FormulaC4H7ClN4O
Molecular Weight162.58 g/mol
Exact Mass162.03
IUPAC Namechloro-(oxolan-2-yldiazenyl)diazene
SMILESClN=NN=NC1CCCO1
InChIInChI=1S/C4H7ClN4O/c5-7-9-8-6-4-2-1-3-10-4/h4H,1-3H2
InChIKeyKAKOKGULPOVEMJ-UHFFFAOYSA-N
XLogP2.10
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-yldiazene
CID 15787091
lithium 2-methanidyloxolane
CID 22401610
2-chlorooxolane;hydrochloride
CID 146484835
2-(oxiran-2-yl)oxolane
CID 18759351
(Z)-N-(oxan-2-yl)pent-3-en-2-imine
CID 123477461
CID 161132598
CID 161132598
methane;oxolan-2-ol
CID 174893517
2-(oxolan-2-yldisulfanyl)oxolane
CID 87150973
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 101228533
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435

Frequently Asked Questions

What is the IUPAC name of chloro-(oxolan-2-yldiazenyl)diazene?
The IUPAC name of chloro-(oxolan-2-yldiazenyl)diazene (CID 161209736) is chloro-(oxolan-2-yldiazenyl)diazene.
What is the SMILES notation for chloro-(oxolan-2-yldiazenyl)diazene?
The canonical SMILES for chloro-(oxolan-2-yldiazenyl)diazene is ClN=NN=NC1CCCO1.
What is the InChIKey of chloro-(oxolan-2-yldiazenyl)diazene?
The InChIKey is KAKOKGULPOVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4O/c5-7-9-8-6-4-2-1-3-10-4/h4H,1-3H2.
What are the key properties of chloro-(oxolan-2-yldiazenyl)diazene?
chloro-(oxolan-2-yldiazenyl)diazene has a molecular weight of 162.58 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(oxolan-2-yldiazenyl)diazene is sourced from PubChem (CID 161209736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).