4-[(3Z)-penta-1,3-dien-2-yl]pyridine

C10H11N — CID 118479579

IUPAC4-[(3Z)-penta-1,3-dien-2-yl]pyridine
SMILESC=C(/C=C\C)c1ccncc1
InChIInChI=1S/C10H11N/c1-3-4-9(2)10-5-7-11-8-6-10/h3-8H,2H2,1H3/b4-3-
InChIKeyXCTCCTVYOUBBFW-ARJAWSKDSA-N
MW145.20 g/mol
LogP2.67
Rot. Bonds2

About 4-[(3Z)-penta-1,3-dien-2-yl]pyridine

4-[(3Z)-penta-1,3-dien-2-yl]pyridine (PubChem CID 118479579) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-[(3Z)-penta-1,3-dien-2-yl]pyridine.

Molecular Properties

Compound Name4-[(3Z)-penta-1,3-dien-2-yl]pyridine
PubChem CID118479579
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4-[(3Z)-penta-1,3-dien-2-yl]pyridine
SMILESC=C(/C=C\C)c1ccncc1
InChIInChI=1S/C10H11N/c1-3-4-9(2)10-5-7-11-8-6-10/h3-8H,2H2,1H3/b4-3-
InChIKeyXCTCCTVYOUBBFW-ARJAWSKDSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.67
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 4-[(3Z)-penta-1,3-dien-2-yl]pyridine?
The IUPAC name of 4-[(3Z)-penta-1,3-dien-2-yl]pyridine (CID 118479579) is 4-[(3Z)-penta-1,3-dien-2-yl]pyridine.
What is the SMILES notation for 4-[(3Z)-penta-1,3-dien-2-yl]pyridine?
The canonical SMILES for 4-[(3Z)-penta-1,3-dien-2-yl]pyridine is C=C(/C=C\C)c1ccncc1.
What is the InChIKey of 4-[(3Z)-penta-1,3-dien-2-yl]pyridine?
The InChIKey is XCTCCTVYOUBBFW-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H11N/c1-3-4-9(2)10-5-7-11-8-6-10/h3-8H,2H2,1H3/b4-3-.
What are the key properties of 4-[(3Z)-penta-1,3-dien-2-yl]pyridine?
4-[(3Z)-penta-1,3-dien-2-yl]pyridine has a molecular weight of 145.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-penta-1,3-dien-2-yl]pyridine is sourced from PubChem (CID 118479579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).