(5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole

C11H12FN — CID 144676071

IUPAC(5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole
SMILESC=C/C=C(\C=C)C1=CCN/C1=C\F
InChIInChI=1S/C11H12FN/c1-3-5-9(4-2)10-6-7-13-11(10)8-12/h3-6,8,13H,1-2,7H2/b9-5+,11-8-
InChIKeyNSMWWTPIPDHFNC-HUEHMTQISA-N
MW177.22 g/mol
LogP2.63
Rot. Bonds3

About (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole

(5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole (PubChem CID 144676071) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole.

Molecular Properties

Compound Name(5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole
PubChem CID144676071
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole
SMILESC=C/C=C(\C=C)C1=CCN/C1=C\F
InChIInChI=1S/C11H12FN/c1-3-5-9(4-2)10-6-7-13-11(10)8-12/h3-6,8,13H,1-2,7H2/b9-5+,11-8-
InChIKeyNSMWWTPIPDHFNC-HUEHMTQISA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole?
The IUPAC name of (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole (CID 144676071) is (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole.
What is the SMILES notation for (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole?
The canonical SMILES for (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole is C=C/C=C(\C=C)C1=CCN/C1=C\F.
What is the InChIKey of (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole?
The InChIKey is NSMWWTPIPDHFNC-HUEHMTQISA-N. The full InChI is InChI=1S/C11H12FN/c1-3-5-9(4-2)10-6-7-13-11(10)8-12/h3-6,8,13H,1-2,7H2/b9-5+,11-8-.
What are the key properties of (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole?
(5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole has a molecular weight of 177.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(fluoromethylidene)-4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2-dihydropyrrole is sourced from PubChem (CID 144676071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).