N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine

C11H15FN2 — CID 130331428

IUPACN-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(C1=CCNCC1)=C(F)\C=C/C
InChIInChI=1S/C11H15FN2/c1-3-4-10(12)11(13-2)9-5-7-14-8-6-9/h3-5,14H,2,6-8H2,1H3/b4-3-,11-10+
InChIKeyKKCAKRKAJVLARI-CSWDMDPZSA-N
MW194.25 g/mol
LogP2.36
Rot. Bonds3

About N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine (PubChem CID 130331428) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine
PubChem CID130331428
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(C1=CCNCC1)=C(F)\C=C/C
InChIInChI=1S/C11H15FN2/c1-3-4-10(12)11(13-2)9-5-7-14-8-6-9/h3-5,14H,2,6-8H2,1H3/b4-3-,11-10+
InChIKeyKKCAKRKAJVLARI-CSWDMDPZSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine (CID 130331428) is N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine is C=N/C(C1=CCNCC1)=C(F)\C=C/C.
What is the InChIKey of N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine?
The InChIKey is KKCAKRKAJVLARI-CSWDMDPZSA-N. The full InChI is InChI=1S/C11H15FN2/c1-3-4-10(12)11(13-2)9-5-7-14-8-6-9/h3-5,14H,2,6-8H2,1H3/b4-3-,11-10+.
What are the key properties of N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine has a molecular weight of 194.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 130331428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).