dimethyl(3H-pyridin-4-ylidene)azanium

C7H11N2+ — CID 152779137

IUPACdimethyl(3H-pyridin-4-ylidene)azanium
SMILESC[N+](C)=C1C=CN=CC1
InChIInChI=1S/C7H11N2/c1-9(2)7-3-5-8-6-4-7/h3,5-6H,4H2,1-2H3/q+1
InChIKeyNJXNFLOYYXBHEW-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.69
Rot. Bonds

About dimethyl(3H-pyridin-4-ylidene)azanium

dimethyl(3H-pyridin-4-ylidene)azanium (PubChem CID 152779137) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is dimethyl(3H-pyridin-4-ylidene)azanium.

Molecular Properties

Compound Namedimethyl(3H-pyridin-4-ylidene)azanium
PubChem CID152779137
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Namedimethyl(3H-pyridin-4-ylidene)azanium
SMILESC[N+](C)=C1C=CN=CC1
InChIInChI=1S/C7H11N2/c1-9(2)7-3-5-8-6-4-7/h3,5-6H,4H2,1-2H3/q+1
InChIKeyNJXNFLOYYXBHEW-UHFFFAOYSA-N
XLogP0.69
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(3H-pyridin-4-ylidene)azanium?
The IUPAC name of dimethyl(3H-pyridin-4-ylidene)azanium (CID 152779137) is dimethyl(3H-pyridin-4-ylidene)azanium.
What is the SMILES notation for dimethyl(3H-pyridin-4-ylidene)azanium?
The canonical SMILES for dimethyl(3H-pyridin-4-ylidene)azanium is C[N+](C)=C1C=CN=CC1.
What is the InChIKey of dimethyl(3H-pyridin-4-ylidene)azanium?
The InChIKey is NJXNFLOYYXBHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2/c1-9(2)7-3-5-8-6-4-7/h3,5-6H,4H2,1-2H3/q+1.
What are the key properties of dimethyl(3H-pyridin-4-ylidene)azanium?
dimethyl(3H-pyridin-4-ylidene)azanium has a molecular weight of 123.18 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3H-pyridin-4-ylidene)azanium is sourced from PubChem (CID 152779137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).