(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium

C11H15N2+ — CID 175635843

IUPAC(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium
SMILESC=c1ncc[n+](C)/c1=C/C=C\CC
InChIInChI=1S/C11H15N2/c1-4-5-6-7-11-10(2)12-8-9-13(11)3/h5-9H,2,4H2,1,3H3/q+1/b6-5-,11-7+
InChIKeyQLPXBHQPNNDMDG-GNLLZQBYSA-N
MW175.25 g/mol
LogP0.06
Rot. Bonds2

About (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium

(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium (PubChem CID 175635843) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium.

Molecular Properties

Compound Name(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium
PubChem CID175635843
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium
SMILESC=c1ncc[n+](C)/c1=C/C=C\CC
InChIInChI=1S/C11H15N2/c1-4-5-6-7-11-10(2)12-8-9-13(11)3/h5-9H,2,4H2,1,3H3/q+1/b6-5-,11-7+
InChIKeyQLPXBHQPNNDMDG-GNLLZQBYSA-N
XLogP0.06
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium?
The IUPAC name of (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium (CID 175635843) is (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium.
What is the SMILES notation for (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium?
The canonical SMILES for (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium is C=c1ncc[n+](C)/c1=C/C=C\CC.
What is the InChIKey of (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium?
The InChIKey is QLPXBHQPNNDMDG-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H15N2/c1-4-5-6-7-11-10(2)12-8-9-13(11)3/h5-9H,2,4H2,1,3H3/q+1/b6-5-,11-7+.
What are the key properties of (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium?
(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium has a molecular weight of 175.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium is sourced from PubChem (CID 175635843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).