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

C17H25FN2 — CID 164922896

IUPAC(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(C)(C)F)C2
InChIInChI=1S/C17H25FN2/c1-6-8-15-13(7-2)14-9-12(3)20(10-16(14)19-15)11-17(4,5)18/h6-8,12,19H,1,9-11H2,2-5H3/b13-7-,15-8+
InChIKeyPHFIQIYLYDTQKY-VXBLSONLSA-N
MW276.40 g/mol
LogP2.28
Rot. Bonds3

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

(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 164922896) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID164922896
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(C)(C)F)C2
InChIInChI=1S/C17H25FN2/c1-6-8-15-13(7-2)14-9-12(3)20(10-16(14)19-15)11-17(4,5)18/h6-8,12,19H,1,9-11H2,2-5H3/b13-7-,15-8+
InChIKeyPHFIQIYLYDTQKY-VXBLSONLSA-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 (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 164922896) is (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is C=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(C)(C)F)C2.
What is the InChIKey of (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is PHFIQIYLYDTQKY-VXBLSONLSA-N. The full InChI is InChI=1S/C17H25FN2/c1-6-8-15-13(7-2)14-9-12(3)20(10-16(14)19-15)11-17(4,5)18/h6-8,12,19H,1,9-11H2,2-5H3/b13-7-,15-8+.
What are the key properties of (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-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 (2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164922896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).