1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine

C11H12F2N2 — CID 118882786

IUPAC1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
SMILESC=C/C(F)=C\C(F)=C1/CC(C(=C)N)=CN1
InChIInChI=1S/C11H12F2N2/c1-3-9(12)5-10(13)11-4-8(6-15-11)7(2)14/h3,5-6,15H,1-2,4,14H2/b9-5+,11-10-
InChIKeyJGMKWMHZITUUHF-ZHPXHHGESA-N
MW210.23 g/mol
LogP2.56
Rot. Bonds3

About 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine

1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine (PubChem CID 118882786) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine.

Molecular Properties

Compound Name1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
PubChem CID118882786
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
SMILESC=C/C(F)=C\C(F)=C1/CC(C(=C)N)=CN1
InChIInChI=1S/C11H12F2N2/c1-3-9(12)5-10(13)11-4-8(6-15-11)7(2)14/h3,5-6,15H,1-2,4,14H2/b9-5+,11-10-
InChIKeyJGMKWMHZITUUHF-ZHPXHHGESA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine?
The IUPAC name of 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine (CID 118882786) is 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine.
What is the SMILES notation for 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine?
The canonical SMILES for 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine is C=C/C(F)=C\C(F)=C1/CC(C(=C)N)=CN1.
What is the InChIKey of 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine?
The InChIKey is JGMKWMHZITUUHF-ZHPXHHGESA-N. The full InChI is InChI=1S/C11H12F2N2/c1-3-9(12)5-10(13)11-4-8(6-15-11)7(2)14/h3,5-6,15H,1-2,4,14H2/b9-5+,11-10-.
What are the key properties of 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine?
1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine has a molecular weight of 210.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine is sourced from PubChem (CID 118882786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).