2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine

C20H21N — CID 142200398

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine
SMILESC=C/C=C\C=C(/C)c1ccc(/C=C/C2=CC=C(C)C2)cn1
InChIInChI=1S/C20H21N/c1-4-5-6-7-17(3)20-13-12-19(15-21-20)11-10-18-9-8-16(2)14-18/h4-13,15H,1,14H2,2-3H3/b6-5-,11-10+,17-7+
InChIKeyDYLVDWSPKGSYTN-UXVCSZNWSA-N
MW275.40 g/mol
LogP5.52
Rot. Bonds5

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine (PubChem CID 142200398) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine
PubChem CID142200398
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine
SMILESC=C/C=C\C=C(/C)c1ccc(/C=C/C2=CC=C(C)C2)cn1
InChIInChI=1S/C20H21N/c1-4-5-6-7-17(3)20-13-12-19(15-21-20)11-10-18-9-8-16(2)14-18/h4-13,15H,1,14H2,2-3H3/b6-5-,11-10+,17-7+
InChIKeyDYLVDWSPKGSYTN-UXVCSZNWSA-N
XLogP5.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.52
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 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine (CID 142200398) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine is C=C/C=C\C=C(/C)c1ccc(/C=C/C2=CC=C(C)C2)cn1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine?
The InChIKey is DYLVDWSPKGSYTN-UXVCSZNWSA-N. The full InChI is InChI=1S/C20H21N/c1-4-5-6-7-17(3)20-13-12-19(15-21-20)11-10-18-9-8-16(2)14-18/h4-13,15H,1,14H2,2-3H3/b6-5-,11-10+,17-7+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine?
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine has a molecular weight of 275.40 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]pyridine is sourced from PubChem (CID 142200398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).