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

C17H25FN2 — CID 170951195

IUPAC(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=c1[nH]c2c(/c1=C/C=C\C)CC(C)N(CC(C)(C)F)C2
InChIInChI=1S/C17H25FN2/c1-6-7-8-14-13(3)19-16-10-20(11-17(4,5)18)12(2)9-15(14)16/h6-8,12,19H,3,9-11H2,1-2,4-5H3/b7-6-,14-8+
InChIKeyOPGZMUKTXZIRCZ-BHWOWGIZSA-N
MW276.40 g/mol
LogP2.28
Rot. Bonds3

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

(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 170951195) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is (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(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 CID170951195
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name(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=c1[nH]c2c(/c1=C/C=C\C)CC(C)N(CC(C)(C)F)C2
InChIInChI=1S/C17H25FN2/c1-6-7-8-14-13(3)19-16-10-20(11-17(4,5)18)12(2)9-15(14)16/h6-8,12,19H,3,9-11H2,1-2,4-5H3/b7-6-,14-8+
InChIKeyOPGZMUKTXZIRCZ-BHWOWGIZSA-N
XLogP2.28
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of (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 (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 170951195) is (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 (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 (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=c1[nH]c2c(/c1=C/C=C\C)CC(C)N(CC(C)(C)F)C2.
What is the InChIKey of (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 OPGZMUKTXZIRCZ-BHWOWGIZSA-N. The full InChI is InChI=1S/C17H25FN2/c1-6-7-8-14-13(3)19-16-10-20(11-17(4,5)18)12(2)9-15(14)16/h6-8,12,19H,3,9-11H2,1-2,4-5H3/b7-6-,14-8+.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
(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 276.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 170951195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).