methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate

C12H13NO2 — CID 144503759

IUPACmethyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
SMILESC=C/C=c1/c(C(=O)OC)cnc/c1=C/C
InChIInChI=1S/C12H13NO2/c1-4-6-10-9(5-2)7-13-8-11(10)12(14)15-3/h4-8H,1H2,2-3H3/b9-5-,10-6+
InChIKeyTWHJIFHMIVZMMJ-VTBWALSUSA-N
MW203.24 g/mol
LogP0.64
Rot. Bonds2

About methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate

methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate (PubChem CID 144503759) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
PubChem CID144503759
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
SMILESC=C/C=c1/c(C(=O)OC)cnc/c1=C/C
InChIInChI=1S/C12H13NO2/c1-4-6-10-9(5-2)7-13-8-11(10)12(14)15-3/h4-8H,1H2,2-3H3/b9-5-,10-6+
InChIKeyTWHJIFHMIVZMMJ-VTBWALSUSA-N
XLogP0.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl pyrrolo[3,2-e]indole-1-carboxylate
CID 140982585
Methyl cyclohepta[f]indole-3-carboxylate
CID 141366427
methyl 4H-cyclohepta[b]pyridine-3-carboxylate
CID 141366480
methyl (2E)-2-[(3E)-2-methyl-5-methyliminopenta-1,3-dien-3-yl]penta-2,4-dienoate
CID 143301130
ethane;methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
CID 143393435
ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503758
ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
CID 144503764
tert-butyl 5H-indole-3-carboxylate
CID 175285390
methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
CID 143393436
(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
CID 144503765

Frequently Asked Questions

What is the IUPAC name of methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
The IUPAC name of methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate (CID 144503759) is methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate.
What is the SMILES notation for methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
The canonical SMILES for methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate is C=C/C=c1/c(C(=O)OC)cnc/c1=C/C.
What is the InChIKey of methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
The InChIKey is TWHJIFHMIVZMMJ-VTBWALSUSA-N. The full InChI is InChI=1S/C12H13NO2/c1-4-6-10-9(5-2)7-13-8-11(10)12(14)15-3/h4-8H,1H2,2-3H3/b9-5-,10-6+.
What are the key properties of methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate is sourced from PubChem (CID 144503759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).