diazomethane;oxo(pentyl)phosphanium

C6H14N2OP+ — CID 173327682

IUPACdiazomethane;oxo(pentyl)phosphanium
SMILESC=[N+]=[N-].CCCCC[PH+]=O
InChIInChI=1S/C5H11OP.CH2N2/c1-2-3-4-5-7-6;1-3-2/h2-5H2,1H3;1H2/p+1
InChIKeyBZNHZALHTNURLB-UHFFFAOYSA-O
MW161.16 g/mol
LogP2.12
Rot. Bonds4

About diazomethane;oxo(pentyl)phosphanium

diazomethane;oxo(pentyl)phosphanium (PubChem CID 173327682) has the molecular formula C6H14N2OP+ and a molecular weight of 161.16 g/mol. Its IUPAC name is diazomethane;oxo(pentyl)phosphanium.

Molecular Properties

Compound Namediazomethane;oxo(pentyl)phosphanium
PubChem CID173327682
Molecular FormulaC6H14N2OP+
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Namediazomethane;oxo(pentyl)phosphanium
SMILESC=[N+]=[N-].CCCCC[PH+]=O
InChIInChI=1S/C5H11OP.CH2N2/c1-2-3-4-5-7-6;1-3-2/h2-5H2,1H3;1H2/p+1
InChIKeyBZNHZALHTNURLB-UHFFFAOYSA-O
XLogP2.12
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diazomethane;oxo(pentyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxo(pentyl)phosphanium
CID 154082405
sodium;pentane;azide
CID 175098930
CID 89423206
CID 89423206
pentyl(selanylidene)phosphanium
CID 173256163
ethene;undecane
CID 161157037
hexane;oxomercury
CID 174814256
hexane;molybdenum
CID 162092649
hexane;hydron
CID 174049109
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of diazomethane;oxo(pentyl)phosphanium?
The IUPAC name of diazomethane;oxo(pentyl)phosphanium (CID 173327682) is diazomethane;oxo(pentyl)phosphanium.
What is the SMILES notation for diazomethane;oxo(pentyl)phosphanium?
The canonical SMILES for diazomethane;oxo(pentyl)phosphanium is C=[N+]=[N-].CCCCC[PH+]=O.
What is the InChIKey of diazomethane;oxo(pentyl)phosphanium?
The InChIKey is BZNHZALHTNURLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11OP.CH2N2/c1-2-3-4-5-7-6;1-3-2/h2-5H2,1H3;1H2/p+1.
What are the key properties of diazomethane;oxo(pentyl)phosphanium?
diazomethane;oxo(pentyl)phosphanium has a molecular weight of 161.16 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diazomethane;oxo(pentyl)phosphanium is sourced from PubChem (CID 173327682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).