1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine

C18H23FN2 — CID 153383099

IUPAC1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C/C(C)=C(C)\N=C(/C)C1=CN(C=C(C)C)C(=C)C(F)=C1
InChIInChI=1S/C18H23FN2/c1-8-13(4)14(5)20-15(6)17-9-18(19)16(7)21(11-17)10-12(2)3/h8-11H,1,7H2,2-6H3/b14-13-,20-15+
InChIKeyWNMUVXKETSOISU-YTUZWTBYSA-N
MW286.39 g/mol
LogP5.42
Rot. Bonds4

About 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine

1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine (PubChem CID 153383099) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound Name1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
PubChem CID153383099
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C/C(C)=C(C)\N=C(/C)C1=CN(C=C(C)C)C(=C)C(F)=C1
InChIInChI=1S/C18H23FN2/c1-8-13(4)14(5)20-15(6)17-9-18(19)16(7)21(11-17)10-12(2)3/h8-11H,1,7H2,2-6H3/b14-13-,20-15+
InChIKeyWNMUVXKETSOISU-YTUZWTBYSA-N
XLogP5.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
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 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine?
The IUPAC name of 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine (CID 153383099) is 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine is C=C/C(C)=C(C)\N=C(/C)C1=CN(C=C(C)C)C(=C)C(F)=C1.
What is the InChIKey of 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine?
The InChIKey is WNMUVXKETSOISU-YTUZWTBYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-8-13(4)14(5)20-15(6)17-9-18(19)16(7)21(11-17)10-12(2)3/h8-11H,1,7H2,2-6H3/b14-13-,20-15+.
What are the key properties of 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine?
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine has a molecular weight of 286.39 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 153383099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).