ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate

C13H15NO2 — CID 142929712

IUPACethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate
SMILESC=C/C=c1/cc(C(=O)OCC)cn/c1=C/C
InChIInChI=1S/C13H15NO2/c1-4-7-10-8-11(13(15)16-6-3)9-14-12(10)5-2/h4-5,7-9H,1,6H2,2-3H3/b10-7-,12-5+
InChIKeyZPUPGLYNORFWSO-RJNOVJKXSA-N
MW217.27 g/mol
LogP1.03
Rot. Bonds3

About ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate

ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate (PubChem CID 142929712) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate
PubChem CID142929712
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate
SMILESC=C/C=c1/cc(C(=O)OCC)cn/c1=C/C
InChIInChI=1S/C13H15NO2/c1-4-7-10-8-11(13(15)16-6-3)9-14-12(10)5-2/h4-5,7-9H,1,6H2,2-3H3/b10-7-,12-5+
InChIKeyZPUPGLYNORFWSO-RJNOVJKXSA-N
XLogP1.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate?
The IUPAC name of ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate (CID 142929712) is ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate.
What is the SMILES notation for ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate?
The canonical SMILES for ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate is C=C/C=c1/cc(C(=O)OCC)cn/c1=C/C.
What is the InChIKey of ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate?
The InChIKey is ZPUPGLYNORFWSO-RJNOVJKXSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-7-10-8-11(13(15)16-6-3)9-14-12(10)5-2/h4-5,7-9H,1,6H2,2-3H3/b10-7-,12-5+.
What are the key properties of ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate?
ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate is sourced from PubChem (CID 142929712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).