3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine

C19H22N2 — CID 134557797

IUPAC3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
SMILESC=C/C=C\c1c(C)c(C=C)c(/C=C\C)n(C=C)/c1=N\C=C
InChIInChI=1S/C19H22N2/c1-7-12-14-17-15(6)16(9-3)18(13-8-2)21(11-5)19(17)20-10-4/h7-14H,1,3-5H2,2,6H3/b13-8-,14-12-,20-19-
InChIKeyONTXWQKHNCPYCE-JQNNVYMNSA-N
MW278.40 g/mol
LogP4.82
Rot. Bonds6

About 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine

3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine (PubChem CID 134557797) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
PubChem CID134557797
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
SMILESC=C/C=C\c1c(C)c(C=C)c(/C=C\C)n(C=C)/c1=N\C=C
InChIInChI=1S/C19H22N2/c1-7-12-14-17-15(6)16(9-3)18(13-8-2)21(11-5)19(17)20-10-4/h7-14H,1,3-5H2,2,6H3/b13-8-,14-12-,20-19-
InChIKeyONTXWQKHNCPYCE-JQNNVYMNSA-N
XLogP4.82
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine (CID 134557797) is 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine is C=C/C=C\c1c(C)c(C=C)c(/C=C\C)n(C=C)/c1=N\C=C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine?
The InChIKey is ONTXWQKHNCPYCE-JQNNVYMNSA-N. The full InChI is InChI=1S/C19H22N2/c1-7-12-14-17-15(6)16(9-3)18(13-8-2)21(11-5)19(17)20-10-4/h7-14H,1,3-5H2,2,6H3/b13-8-,14-12-,20-19-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine?
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine has a molecular weight of 278.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine is sourced from PubChem (CID 134557797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).