2-diazonioimino-1-methylpyrrolidine

C5H9N4+ — CID 123352329

IUPAC2-diazonioimino-1-methylpyrrolidine
SMILESCN1CCCC1=N[N+]#N
InChIInChI=1S/C5H9N4/c1-9-4-2-3-5(9)7-8-6/h2-4H2,1H3/q+1
InChIKeyNXVJLHQVRACNDH-UHFFFAOYSA-N
MW125.16 g/mol
LogP0.88
Rot. Bonds

About 2-diazonioimino-1-methylpyrrolidine

2-diazonioimino-1-methylpyrrolidine (PubChem CID 123352329) has the molecular formula C5H9N4+ and a molecular weight of 125.16 g/mol. Its IUPAC name is 2-diazonioimino-1-methylpyrrolidine.

Molecular Properties

Compound Name2-diazonioimino-1-methylpyrrolidine
PubChem CID123352329
Molecular FormulaC5H9N4+
Molecular Weight125.16 g/mol
Exact Mass125.08
IUPAC Name2-diazonioimino-1-methylpyrrolidine
SMILESCN1CCCC1=N[N+]#N
InChIInChI=1S/C5H9N4/c1-9-4-2-3-5(9)7-8-6/h2-4H2,1H3/q+1
InChIKeyNXVJLHQVRACNDH-UHFFFAOYSA-N
XLogP0.88
TPSA43.75 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
Guanidine, N-cyano-N'-(1-methyl-2-pyrrolidinylidene)-
CID 9589493
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2-pyrrolidinimine
CID 12448966
1-Ethyl-2-iminopyrrolidine
CID 12449021
(1-Methylpyrrolidin-2-ylidene)hydrazine
CID 4094985
(E)-(1-methylpyrrolidin-2-ylidene)hydrazine
CID 6008565
(Z)-(1-methylpyrrolidin-2-ylidene)hydrazine
CID 6521715
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
1-Propylpyrrolidin-2-imine
CID 43121967
1-Pyrrolidin-1-ylpropan-1-imine
CID 54232644

Frequently Asked Questions

What is the IUPAC name of 2-diazonioimino-1-methylpyrrolidine?
The IUPAC name of 2-diazonioimino-1-methylpyrrolidine (CID 123352329) is 2-diazonioimino-1-methylpyrrolidine.
What is the SMILES notation for 2-diazonioimino-1-methylpyrrolidine?
The canonical SMILES for 2-diazonioimino-1-methylpyrrolidine is CN1CCCC1=N[N+]#N.
What is the InChIKey of 2-diazonioimino-1-methylpyrrolidine?
The InChIKey is NXVJLHQVRACNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N4/c1-9-4-2-3-5(9)7-8-6/h2-4H2,1H3/q+1.
What are the key properties of 2-diazonioimino-1-methylpyrrolidine?
2-diazonioimino-1-methylpyrrolidine has a molecular weight of 125.16 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonioimino-1-methylpyrrolidine is sourced from PubChem (CID 123352329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).