(2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile

C8H9FN2 — CID 144755644

IUPAC(2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile
SMILESC=C/C(F)=C(/C#N)C(=C)NC
InChIInChI=1S/C8H9FN2/c1-4-8(9)7(5-10)6(2)11-3/h4,11H,1-2H2,3H3/b8-7+
InChIKeyRTVWYCRLPYNHJY-BQYQJAHWSA-N
MW152.17 g/mol
LogP1.65
Rot. Bonds3

About (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile

(2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile (PubChem CID 144755644) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile
PubChem CID144755644
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile
SMILESC=C/C(F)=C(/C#N)C(=C)NC
InChIInChI=1S/C8H9FN2/c1-4-8(9)7(5-10)6(2)11-3/h4,11H,1-2H2,3H3/b8-7+
InChIKeyRTVWYCRLPYNHJY-BQYQJAHWSA-N
XLogP1.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile?
The IUPAC name of (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile (CID 144755644) is (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile?
The canonical SMILES for (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile is C=C/C(F)=C(/C#N)C(=C)NC.
What is the InChIKey of (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile?
The InChIKey is RTVWYCRLPYNHJY-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H9FN2/c1-4-8(9)7(5-10)6(2)11-3/h4,11H,1-2H2,3H3/b8-7+.
What are the key properties of (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile?
(2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile has a molecular weight of 152.17 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-2-[1-(methylamino)ethenyl]penta-2,4-dienenitrile is sourced from PubChem (CID 144755644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).