(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole

C12H17FN2 — CID 168939747

IUPAC(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole
SMILESC/C=c1\c(=C(/C)F)ccn1C1CCNC1
InChIInChI=1S/C12H17FN2/c1-3-12-11(9(2)13)5-7-15(12)10-4-6-14-8-10/h3,5,7,10,14H,4,6,8H2,1-2H3/b11-9+,12-3+
InChIKeyZNTRBQAEIXGZAY-LTUHWXPGSA-N
MW208.28 g/mol
LogP0.92
Rot. Bonds1

About (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole

(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole (PubChem CID 168939747) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole
PubChem CID168939747
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole
SMILESC/C=c1\c(=C(/C)F)ccn1C1CCNC1
InChIInChI=1S/C12H17FN2/c1-3-12-11(9(2)13)5-7-15(12)10-4-6-14-8-10/h3,5,7,10,14H,4,6,8H2,1-2H3/b11-9+,12-3+
InChIKeyZNTRBQAEIXGZAY-LTUHWXPGSA-N
XLogP0.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-Fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
CID 90305531
N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine
CID 138655232
(4Z)-5-(4-ethenyl-3-methyl-1,4-diazabicyclo[3.2.1]oct-2-en-2-yl)-3-methylidene-N-(2,2,2-trifluoroethyl)hexa-1,4-dien-2-amine
CID 155001823
(4Z)-5-[(5S)-3,4-dimethyl-1,4-diazabicyclo[3.2.1]oct-2-en-2-yl]-3-methylidene-N-(1,1,1-trifluoropentan-2-yl)penta-1,4-dien-2-amine
CID 155002007
(4Z)-5-(3,4-dimethyl-1,4-diazabicyclo[3.2.1]oct-2-en-2-yl)-3-methylidene-N-(2,2,2-trifluoroethyl)penta-1,4-dien-2-amine
CID 155002075
N-[1-[2-(aminomethyl)-1-methyl-2H-pyridin-4-yl]ethenyl]-3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine
CID 166711591
(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole
CID 168939722
4-Fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole
CID 168939762
2-fluoro-1-N-[(4Z,6E)-7-methyl-3-methylidene-6-[(3S)-3-methylpyrrolidin-1-yl]nona-1,4,6-trien-2-yl]propane-1,2-diamine
CID 173873359
4-cyclohexa-1,5-dien-1-yl-1-(4-fluoropyrrolidin-3-yl)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dihydropyrrole
CID 143005240
2-(1,2-Dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 70334328
2-Methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine
CID 90305532

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole?
The IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole (CID 168939747) is (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole.
What is the SMILES notation for (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole?
The canonical SMILES for (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole is C/C=c1\c(=C(/C)F)ccn1C1CCNC1.
What is the InChIKey of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole?
The InChIKey is ZNTRBQAEIXGZAY-LTUHWXPGSA-N. The full InChI is InChI=1S/C12H17FN2/c1-3-12-11(9(2)13)5-7-15(12)10-4-6-14-8-10/h3,5,7,10,14H,4,6,8H2,1-2H3/b11-9+,12-3+.
What are the key properties of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole?
(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole has a molecular weight of 208.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole is sourced from PubChem (CID 168939747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).