diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium

C10H17N2+ — CID 23558529

IUPACdiethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
SMILESC=C1C=CC(=[N+](CC)CC)N1C
InChIInChI=1S/C10H17N2/c1-5-12(6-2)10-8-7-9(3)11(10)4/h7-8H,3,5-6H2,1-2,4H3/q+1
InChIKeySHJNHKJTSHNRNA-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.45
Rot. Bonds2

About diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium

diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium (PubChem CID 23558529) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium.

Molecular Properties

Compound Namediethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
PubChem CID23558529
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Namediethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
SMILESC=C1C=CC(=[N+](CC)CC)N1C
InChIInChI=1S/C10H17N2/c1-5-12(6-2)10-8-7-9(3)11(10)4/h7-8H,3,5-6H2,1-2,4H3/q+1
InChIKeySHJNHKJTSHNRNA-UHFFFAOYSA-N
XLogP1.45
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
4-Ethylimidazo[1,2-a]pyridin-4-ium
CID 18001023
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
3,4-Diethylimidazo[1,2-a]pyridin-4-ium
CID 22909639
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
2-methylidene-3H-imidazo[1,2-a]pyridine
CID 58182895
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
3-methyl-2H-imidazo[1,2-a]pyridin-2-ide;yttrium
CID 60004417
1,2,3,6-tetramethyl-4H-pyrimidin-3-ium
CID 66739432
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225
2,5-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89344976

Frequently Asked Questions

What is the IUPAC name of diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium?
The IUPAC name of diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium (CID 23558529) is diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium.
What is the SMILES notation for diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium?
The canonical SMILES for diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium is C=C1C=CC(=[N+](CC)CC)N1C.
What is the InChIKey of diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium?
The InChIKey is SHJNHKJTSHNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2/c1-5-12(6-2)10-8-7-9(3)11(10)4/h7-8H,3,5-6H2,1-2,4H3/q+1.
What are the key properties of diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium?
diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium has a molecular weight of 165.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium is sourced from PubChem (CID 23558529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).