(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol

C10H12FNO — CID 118057072

IUPAC(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol
SMILESC=C(F)/C(O)=C\C=C1/CC=C(C)N1
InChIInChI=1S/C10H12FNO/c1-7-3-4-9(12-7)5-6-10(13)8(2)11/h3,5-6,12-13H,2,4H2,1H3/b9-5+,10-6+
InChIKeyLZHRHHOQOWRYGA-NXZHAISVSA-N
MW181.21 g/mol
LogP2.69
Rot. Bonds2

About (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol

(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol (PubChem CID 118057072) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol
PubChem CID118057072
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol
SMILESC=C(F)/C(O)=C\C=C1/CC=C(C)N1
InChIInChI=1S/C10H12FNO/c1-7-3-4-9(12-7)5-6-10(13)8(2)11/h3,5-6,12-13H,2,4H2,1H3/b9-5+,10-6+
InChIKeyLZHRHHOQOWRYGA-NXZHAISVSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol?
The IUPAC name of (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol (CID 118057072) is (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol.
What is the SMILES notation for (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol?
The canonical SMILES for (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol is C=C(F)/C(O)=C\C=C1/CC=C(C)N1.
What is the InChIKey of (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol?
The InChIKey is LZHRHHOQOWRYGA-NXZHAISVSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-3-4-9(12-7)5-6-10(13)8(2)11/h3,5-6,12-13H,2,4H2,1H3/b9-5+,10-6+.
What are the key properties of (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol?
(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol has a molecular weight of 181.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol is sourced from PubChem (CID 118057072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).