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

C16H25NO2 — CID 144503758

IUPACethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
SMILESC=C/C=c1/c(C(=O)OC)cnc/c1=C/C.CC.CC
InChIInChI=1S/C12H13NO2.2C2H6/c1-4-6-10-9(5-2)7-13-8-11(10)12(14)15-3;2*1-2/h4-8H,1H2,2-3H3;2*1-2H3/b9-5-,10-6+;;
InChIKeyFJYMVFYWQIPJNP-ONLMGNRDSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds2

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

ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate (PubChem CID 144503758) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
PubChem CID144503758
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
SMILESC=C/C=c1/c(C(=O)OC)cnc/c1=C/C.CC.CC
InChIInChI=1S/C12H13NO2.2C2H6/c1-4-6-10-9(5-2)7-13-8-11(10)12(14)15-3;2*1-2/h4-8H,1H2,2-3H3;2*1-2H3/b9-5-,10-6+;;
InChIKeyFJYMVFYWQIPJNP-ONLMGNRDSA-N
XLogP2.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl cyclohepta[f]indole-3-carboxylate
CID 141366427
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;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
CID 144503764
propyl (2E,3Z,5E)-4-[(Z)-but-1-enyl]-2-ethylidene-5-methyl-3-[(Z)-1-methyliminobut-2-en-2-yl]octa-3,5-dienoate
CID 142587155
propan-2-yl (2E,3Z,5E)-4-[(Z)-but-1-enyl]-2-ethylidene-5-methyl-3-[(Z)-1-methyliminobut-2-en-2-yl]octa-3,5-dienoate
CID 142587164
methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
CID 143393436
methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503759

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
The IUPAC name of ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate (CID 144503758) is ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
The canonical SMILES for ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate is C=C/C=c1/c(C(=O)OC)cnc/c1=C/C.CC.CC.
What is the InChIKey of ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
The InChIKey is FJYMVFYWQIPJNP-ONLMGNRDSA-N. The full InChI is InChI=1S/C12H13NO2.2C2H6/c1-4-6-10-9(5-2)7-13-8-11(10)12(14)15-3;2*1-2/h4-8H,1H2,2-3H3;2*1-2H3/b9-5-,10-6+;;.
What are the key properties of ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate?
ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate is sourced from PubChem (CID 144503758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).