(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine

C15H17N — CID 126548720

IUPAC(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/ccc(/C=C\C=C/C)n/c1=C/C
InChIInChI=1S/C15H17N/c1-4-7-8-10-14-12-11-13(9-5-2)15(6-3)16-14/h4-12H,2H2,1,3H3/b7-4-,10-8-,13-9-,15-6+
InChIKeyXFWIMCVUTPDJOD-XGTNXRFBSA-N
MW211.31 g/mol
LogP2.44
Rot. Bonds3

About (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine

(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine (PubChem CID 126548720) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine
PubChem CID126548720
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/ccc(/C=C\C=C/C)n/c1=C/C
InChIInChI=1S/C15H17N/c1-4-7-8-10-14-12-11-13(9-5-2)15(6-3)16-14/h4-12H,2H2,1,3H3/b7-4-,10-8-,13-9-,15-6+
InChIKeyXFWIMCVUTPDJOD-XGTNXRFBSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine?
The IUPAC name of (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine (CID 126548720) is (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine?
The canonical SMILES for (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine is C=C/C=c1/ccc(/C=C\C=C/C)n/c1=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine?
The InChIKey is XFWIMCVUTPDJOD-XGTNXRFBSA-N. The full InChI is InChI=1S/C15H17N/c1-4-7-8-10-14-12-11-13(9-5-2)15(6-3)16-14/h4-12H,2H2,1,3H3/b7-4-,10-8-,13-9-,15-6+.
What are the key properties of (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine?
(2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine has a molecular weight of 211.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-6-[(1Z,3Z)-penta-1,3-dienyl]-3-prop-2-enylidenepyridine is sourced from PubChem (CID 126548720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).