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

C15H19F3N2 — CID 164924582

IUPAC(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(F)(F)F)C2
InChIInChI=1S/C15H19F3N2/c1-4-6-13-11(5-2)12-7-10(3)20(8-14(12)19-13)9-15(16,17)18/h4-6,10,19H,1,7-9H2,2-3H3/b11-5-,13-6+
InChIKeyRBOTWKCKFPNMRO-FALRLRKYSA-N
MW284.32 g/mol
LogP2.09
Rot. Bonds2

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

(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 164924582) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID164924582
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(F)(F)F)C2
InChIInChI=1S/C15H19F3N2/c1-4-6-13-11(5-2)12-7-10(3)20(8-14(12)19-13)9-15(16,17)18/h4-6,10,19H,1,7-9H2,2-3H3/b11-5-,13-6+
InChIKeyRBOTWKCKFPNMRO-FALRLRKYSA-N
XLogP2.09
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-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-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 164924582) is (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is C=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(F)(F)F)C2.
What is the InChIKey of (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is RBOTWKCKFPNMRO-FALRLRKYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-4-6-13-11(5-2)12-7-10(3)20(8-14(12)19-13)9-15(16,17)18/h4-6,10,19H,1,7-9H2,2-3H3/b11-5-,13-6+.
What are the key properties of (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 284.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164924582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).