(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

C21H33FN2 — CID 170951194

IUPAC(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC/C=C\C.C=c1[nH]c2c(/c1=C/C=C\C)CC(C)N(CC(C)(C)F)C2
InChIInChI=1S/C17H25FN2.C4H8/c1-6-7-8-14-13(3)19-16-10-20(11-17(4,5)18)12(2)9-15(14)16;1-3-4-2/h6-8,12,19H,3,9-11H2,1-2,4-5H3;3-4H,1-2H3/b7-6-,14-8+;4-3-
InChIKeyFCHWFQAPVUBCSE-QLYDOPLNSA-N
MW332.51 g/mol
LogP3.86
Rot. Bonds3

About (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 170951194) has the molecular formula C21H33FN2 and a molecular weight of 332.51 g/mol. Its IUPAC name is (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID170951194
Molecular FormulaC21H33FN2
Molecular Weight332.51 g/mol
Exact Mass332.26
IUPAC Name(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC/C=C\C.C=c1[nH]c2c(/c1=C/C=C\C)CC(C)N(CC(C)(C)F)C2
InChIInChI=1S/C17H25FN2.C4H8/c1-6-7-8-14-13(3)19-16-10-20(11-17(4,5)18)12(2)9-15(14)16;1-3-4-2/h6-8,12,19H,3,9-11H2,1-2,4-5H3;3-4H,1-2H3/b7-6-,14-8+;4-3-
InChIKeyFCHWFQAPVUBCSE-QLYDOPLNSA-N
XLogP3.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 170951194) is (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is C/C=C\C.C=c1[nH]c2c(/c1=C/C=C\C)CC(C)N(CC(C)(C)F)C2.
What is the InChIKey of (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is FCHWFQAPVUBCSE-QLYDOPLNSA-N. The full InChI is InChI=1S/C17H25FN2.C4H8/c1-6-7-8-14-13(3)19-16-10-20(11-17(4,5)18)12(2)9-15(14)16;1-3-4-2/h6-8,12,19H,3,9-11H2,1-2,4-5H3;3-4H,1-2H3/b7-6-,14-8+;4-3-.
What are the key properties of (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 332.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170951194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).