N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine

C17H20N2 — CID 143904575

IUPACN-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine
SMILESC=Cn1c(C)ccc/c1=N\C/C1=C/CC=C/C=C\C1
InChIInChI=1S/C17H20N2/c1-3-19-15(2)10-9-13-17(19)18-14-16-11-7-5-4-6-8-12-16/h3-7,9-10,12-13H,1,8,11,14H2,2H3/b6-4?,7-5-,16-12+,18-17+
InChIKeyONOXYJAPMHVAEV-KTIMRXNLSA-N
MW252.36 g/mol
LogP3.63
Rot. Bonds3

About N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine

N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine (PubChem CID 143904575) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine.

Molecular Properties

Compound NameN-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine
PubChem CID143904575
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine
SMILESC=Cn1c(C)ccc/c1=N\C/C1=C/CC=C/C=C\C1
InChIInChI=1S/C17H20N2/c1-3-19-15(2)10-9-13-17(19)18-14-16-11-7-5-4-6-8-12-16/h3-7,9-10,12-13H,1,8,11,14H2,2H3/b6-4?,7-5-,16-12+,18-17+
InChIKeyONOXYJAPMHVAEV-KTIMRXNLSA-N
XLogP3.63
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine with MolForge

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Related Compounds

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N-ethenyl-5-ethyl-1-methylpyridin-2-imine
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Frequently Asked Questions

What is the IUPAC name of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine?
The IUPAC name of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine (CID 143904575) is N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine.
What is the SMILES notation for N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine?
The canonical SMILES for N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine is C=Cn1c(C)ccc/c1=N\C/C1=C/CC=C/C=C\C1.
What is the InChIKey of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine?
The InChIKey is ONOXYJAPMHVAEV-KTIMRXNLSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-19-15(2)10-9-13-17(19)18-14-16-11-7-5-4-6-8-12-16/h3-7,9-10,12-13H,1,8,11,14H2,2H3/b6-4?,7-5-,16-12+,18-17+.
What are the key properties of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine?
N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine has a molecular weight of 252.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine is sourced from PubChem (CID 143904575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).