2-ethenylhexa-1,3,5-trienylbenzene;pyridine

C19H19N — CID 87504739

IUPAC2-ethenylhexa-1,3,5-trienylbenzene;pyridine
SMILESC=CC=CC(C=C)=Cc1ccccc1.c1ccncc1
InChIInChI=1S/C14H14.C5H5N/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-2-4-6-5-3-1/h3-12H,1-2H2;1-5H
InChIKeyHWAJVBXCCBBIEA-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.08
Rot. Bonds4

About 2-ethenylhexa-1,3,5-trienylbenzene;pyridine

2-ethenylhexa-1,3,5-trienylbenzene;pyridine (PubChem CID 87504739) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethenylhexa-1,3,5-trienylbenzene;pyridine.

Molecular Properties

Compound Name2-ethenylhexa-1,3,5-trienylbenzene;pyridine
PubChem CID87504739
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-ethenylhexa-1,3,5-trienylbenzene;pyridine
SMILESC=CC=CC(C=C)=Cc1ccccc1.c1ccncc1
InChIInChI=1S/C14H14.C5H5N/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-2-4-6-5-3-1/h3-12H,1-2H2;1-5H
InChIKeyHWAJVBXCCBBIEA-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-benzylidenehepta-1,4,6-trienylbenzene;hydrate
CID 87994384
4-benzylideneocta-2,5,7-trienoic acid
CID 54332151
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
4-benzylidenehexa-2,5-dienenitrile
CID 88542343
pyridine;styrene;hydrochloride
CID 173443954
pyridine;styrene;sulfane
CID 174934116
(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one
CID 88966146
1-phenylbuta-1,3-dien-2-ol
CID 87904786
benzaldehyde;bis(pyridine)
CID 174954830
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204

Frequently Asked Questions

What is the IUPAC name of 2-ethenylhexa-1,3,5-trienylbenzene;pyridine?
The IUPAC name of 2-ethenylhexa-1,3,5-trienylbenzene;pyridine (CID 87504739) is 2-ethenylhexa-1,3,5-trienylbenzene;pyridine.
What is the SMILES notation for 2-ethenylhexa-1,3,5-trienylbenzene;pyridine?
The canonical SMILES for 2-ethenylhexa-1,3,5-trienylbenzene;pyridine is C=CC=CC(C=C)=Cc1ccccc1.c1ccncc1.
What is the InChIKey of 2-ethenylhexa-1,3,5-trienylbenzene;pyridine?
The InChIKey is HWAJVBXCCBBIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C5H5N/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-2-4-6-5-3-1/h3-12H,1-2H2;1-5H.
What are the key properties of 2-ethenylhexa-1,3,5-trienylbenzene;pyridine?
2-ethenylhexa-1,3,5-trienylbenzene;pyridine has a molecular weight of 261.37 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylhexa-1,3,5-trienylbenzene;pyridine is sourced from PubChem (CID 87504739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).