[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea

C8H11FN2O — CID 164902264

IUPAC[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
SMILESC=C/C(F)=C(\C=C)CNC(N)=O
InChIInChI=1S/C8H11FN2O/c1-3-6(7(9)4-2)5-11-8(10)12/h3-4H,1-2,5H2,(H3,10,11,12)/b7-6-
InChIKeyMUUVZMSRMSOZBJ-SREVYHEPSA-N
MW170.19 g/mol
LogP1.25
Rot. Bonds4

About [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea

[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea (PubChem CID 164902264) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea.

Molecular Properties

Compound Name[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
PubChem CID164902264
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
SMILESC=C/C(F)=C(\C=C)CNC(N)=O
InChIInChI=1S/C8H11FN2O/c1-3-6(7(9)4-2)5-11-8(10)12/h3-4H,1-2,5H2,(H3,10,11,12)/b7-6-
InChIKeyMUUVZMSRMSOZBJ-SREVYHEPSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6-Fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
CID 123389312
(3-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
CID 123540131
[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
CID 142108318
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
N-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]formamide
CID 164902160
Cyclohexa-1,5-dien-1-ylmethylurea
CID 18766888
2-Methylidenebut-3-enylurea
CID 88982925
[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]urea
CID 138478266
[(2E)-2-ethenylpenta-2,4-dienyl]urea
CID 143467054
[(3Z)-2-methylidenehexa-3,5-dienyl]urea
CID 144278783
1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea
CID 145287162
[(Z,2E)-2-ethylidenehex-3-enyl]carbamoylazanide;yttrium
CID 145656337

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea?
The IUPAC name of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea (CID 164902264) is [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea.
What is the SMILES notation for [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea?
The canonical SMILES for [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea is C=C/C(F)=C(\C=C)CNC(N)=O.
What is the InChIKey of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea?
The InChIKey is MUUVZMSRMSOZBJ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-3-6(7(9)4-2)5-11-8(10)12/h3-4H,1-2,5H2,(H3,10,11,12)/b7-6-.
What are the key properties of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea?
[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea has a molecular weight of 170.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea is sourced from PubChem (CID 164902264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).