2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine

C12H13N — CID 123802850

IUPAC2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine
SMILESC=CC=c1c(C=C)nccc1=CC
InChIInChI=1S/C12H13N/c1-4-7-11-10(5-2)8-9-13-12(11)6-3/h4-9H,1,3H2,2H3
InChIKeyOQLJNXYEWHGMGR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.49
Rot. Bonds2

About 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine

2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine (PubChem CID 123802850) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Name2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine
PubChem CID123802850
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine
SMILESC=CC=c1c(C=C)nccc1=CC
InChIInChI=1S/C12H13N/c1-4-7-11-10(5-2)8-9-13-12(11)6-3/h4-9H,1,3H2,2H3
InChIKeyOQLJNXYEWHGMGR-UHFFFAOYSA-N
XLogP1.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine?
The IUPAC name of 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine (CID 123802850) is 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine.
What is the SMILES notation for 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine?
The canonical SMILES for 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine is C=CC=c1c(C=C)nccc1=CC.
What is the InChIKey of 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine?
The InChIKey is OQLJNXYEWHGMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-4-7-11-10(5-2)8-9-13-12(11)6-3/h4-9H,1,3H2,2H3.
What are the key properties of 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine?
2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine has a molecular weight of 171.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethylidene-3-prop-2-enylidenepyridine is sourced from PubChem (CID 123802850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).