(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole

C11H15FN2 — CID 168939722

IUPAC(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole
SMILESC/C=c1\c(=C(/C)F)ccn1C1CNC1
InChIInChI=1S/C11H15FN2/c1-3-11-10(8(2)12)4-5-14(11)9-6-13-7-9/h3-5,9,13H,6-7H2,1-2H3/b10-8+,11-3+
InChIKeyYLPSIXOBCYIPJX-LZQNVLJHSA-N
MW194.25 g/mol
LogP0.53
Rot. Bonds1

About (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole

(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole (PubChem CID 168939722) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole.

Molecular Properties

Compound Name(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole
PubChem CID168939722
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole
SMILESC/C=c1\c(=C(/C)F)ccn1C1CNC1
InChIInChI=1S/C11H15FN2/c1-3-11-10(8(2)12)4-5-14(11)9-6-13-7-9/h3-5,9,13H,6-7H2,1-2H3/b10-8+,11-3+
InChIKeyYLPSIXOBCYIPJX-LZQNVLJHSA-N
XLogP0.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole
CID 168939747
1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine
CID 126707751
N-ethenyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]azetidin-3-amine
CID 145066813
N-ethyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]azetidin-3-amine
CID 156424011
1-(Azetidin-3-yl)-2,3-dimethylidenepyrrole
CID 168939763
ethane;N'-[1-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]azetidin-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 172273699
N-methyl-1-[(3E,5E,7E)-3-methyldeca-3,5,7-trien-5-yl]azetidin-3-amine
CID 153633768
1-[(3E,5E,7E)-3-methyldeca-3,5,7-trien-5-yl]azetidin-3-amine
CID 153633909
N'-[1-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]azetidin-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 172273700

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole?
The IUPAC name of (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole (CID 168939722) is (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole.
What is the SMILES notation for (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole?
The canonical SMILES for (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole is C/C=c1\c(=C(/C)F)ccn1C1CNC1.
What is the InChIKey of (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole?
The InChIKey is YLPSIXOBCYIPJX-LZQNVLJHSA-N. The full InChI is InChI=1S/C11H15FN2/c1-3-11-10(8(2)12)4-5-14(11)9-6-13-7-9/h3-5,9,13H,6-7H2,1-2H3/b10-8+,11-3+.
What are the key properties of (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole?
(2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole has a molecular weight of 194.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-1-(azetidin-3-yl)-2-ethylidene-3-(1-fluoroethylidene)pyrrole is sourced from PubChem (CID 168939722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).