(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium

C12H18N+ — CID 144617837

IUPAC(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium
SMILESC/C=c1/cc(C)c[n+](C)/c1=C/CC
InChIInChI=1S/C12H18N/c1-5-7-12-11(6-2)8-10(3)9-13(12)4/h6-9H,5H2,1-4H3/q+1/b11-6-,12-7+
InChIKeyMRMNAVOOKCEPBK-TWTKIJFOSA-N
MW176.28 g/mol
LogP0.81
Rot. Bonds1

About (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium

(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium (PubChem CID 144617837) has the molecular formula C12H18N+ and a molecular weight of 176.28 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium
PubChem CID144617837
Molecular FormulaC12H18N+
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Name(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium
SMILESC/C=c1/cc(C)c[n+](C)/c1=C/CC
InChIInChI=1S/C12H18N/c1-5-7-12-11(6-2)8-10(3)9-13(12)4/h6-9H,5H2,1-4H3/q+1/b11-6-,12-7+
InChIKeyMRMNAVOOKCEPBK-TWTKIJFOSA-N
XLogP0.81
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.81
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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Related Compounds

[(3Z,5Z)-4-fluoro-3-methylocta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 153552729
3-methylidene-1-(3-methylidenecyclohexa-1,5-dien-1-yl)-4H-pyridin-1-ium
CID 90880239
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
3-Ethyl-6,7-dihydroquinoline
CID 89097266
(2E,3Z)-2-ethylidene-3-propylidenepyridine
CID 89097805
(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
CID 89225903
2-Methyl-4,5-dimethylidenepyridine
CID 89278992
3,7-dimethyl-8H-cyclohepta[b]pyridine
CID 89302809
(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine
CID 89384502
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-methylprop-2-en-1-imine
CID 89426810
(3Z)-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-imine
CID 89775173
(2E,3Z)-3-ethylidene-2-prop-2-enylidenepyridine
CID 89965407

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium?
The IUPAC name of (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium (CID 144617837) is (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium.
What is the SMILES notation for (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium?
The canonical SMILES for (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium is C/C=c1/cc(C)c[n+](C)/c1=C/CC.
What is the InChIKey of (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium?
The InChIKey is MRMNAVOOKCEPBK-TWTKIJFOSA-N. The full InChI is InChI=1S/C12H18N/c1-5-7-12-11(6-2)8-10(3)9-13(12)4/h6-9H,5H2,1-4H3/q+1/b11-6-,12-7+.
What are the key properties of (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium?
(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium has a molecular weight of 176.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium is sourced from PubChem (CID 144617837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).