2-[(E)-dodec-1-enyl]pyridine

C17H27N — CID 166438666

IUPAC2-[(E)-dodec-1-enyl]pyridine
SMILESCCCCCCCCCC/C=C/c1ccccn1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17/h11-16H,2-10H2,1H3/b14-11+
InChIKeyUDNXCKVZQZDOOA-SDNWHVSQSA-N
MW245.41 g/mol
LogP5.63
Rot. Bonds10

About 2-[(E)-dodec-1-enyl]pyridine

2-[(E)-dodec-1-enyl]pyridine (PubChem CID 166438666) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(E)-dodec-1-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-dodec-1-enyl]pyridine
PubChem CID166438666
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(E)-dodec-1-enyl]pyridine
SMILESCCCCCCCCCC/C=C/c1ccccn1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17/h11-16H,2-10H2,1H3/b14-11+
InChIKeyUDNXCKVZQZDOOA-SDNWHVSQSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-pent-1-enyl]pyridine
CID 45079869
(E)-6-pyridin-2-ylhex-5-enal
CID 10464818
didodecyl(2-pyridin-2-ylethenyl)phosphane
CID 140620465
2-[(E)-5-phenylpent-1-enyl]pyridine
CID 132566221
[(E)-octadec-1-enyl]benzene
CID 22722345
3-[(E)-hept-1-enyl]-2-phenylpyridine
CID 23657471
2-(4-phenylbut-1-enyl)pyridine
CID 68904769
2-[(E)-4-phenylbut-1-enyl]pyridine
CID 68904767
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dodec-1-enyl]pyridine?
The IUPAC name of 2-[(E)-dodec-1-enyl]pyridine (CID 166438666) is 2-[(E)-dodec-1-enyl]pyridine.
What is the SMILES notation for 2-[(E)-dodec-1-enyl]pyridine?
The canonical SMILES for 2-[(E)-dodec-1-enyl]pyridine is CCCCCCCCCC/C=C/c1ccccn1.
What is the InChIKey of 2-[(E)-dodec-1-enyl]pyridine?
The InChIKey is UDNXCKVZQZDOOA-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17/h11-16H,2-10H2,1H3/b14-11+.
What are the key properties of 2-[(E)-dodec-1-enyl]pyridine?
2-[(E)-dodec-1-enyl]pyridine has a molecular weight of 245.41 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dodec-1-enyl]pyridine is sourced from PubChem (CID 166438666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).