1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium

C16H26N2+2 — CID 123195700

IUPAC1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium
SMILESC=[N+]1CC[N+](CC)=C(C=CC)C1=CC=C(C)CC
InChIInChI=1S/C16H26N2/c1-6-9-16-15(11-10-14(4)7-2)17(5)12-13-18(16)8-3/h6,9-11H,5,7-8,12-13H2,1-4H3/q+2
InChIKeyOTPPBESHFAFWLA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.00
Rot. Bonds4

About 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium

1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium (PubChem CID 123195700) has the molecular formula C16H26N2+2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium.

Molecular Properties

Compound Name1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium
PubChem CID123195700
Molecular FormulaC16H26N2+2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium
SMILESC=[N+]1CC[N+](CC)=C(C=CC)C1=CC=C(C)CC
InChIInChI=1S/C16H26N2/c1-6-9-16-15(11-10-14(4)7-2)17(5)12-13-18(16)8-3/h6,9-11H,5,7-8,12-13H2,1-4H3/q+2
InChIKeyOTPPBESHFAFWLA-UHFFFAOYSA-N
XLogP3.00
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium?
The IUPAC name of 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium (CID 123195700) is 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium.
What is the SMILES notation for 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium?
The canonical SMILES for 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium is C=[N+]1CC[N+](CC)=C(C=CC)C1=CC=C(C)CC.
What is the InChIKey of 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium?
The InChIKey is OTPPBESHFAFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-9-16-15(11-10-14(4)7-2)17(5)12-13-18(16)8-3/h6,9-11H,5,7-8,12-13H2,1-4H3/q+2.
What are the key properties of 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium?
1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium has a molecular weight of 246.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium is sourced from PubChem (CID 123195700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).