3-fluoro-2-methylidenepent-4-enamide

C6H8FNO — CID 87881753

IUPAC3-fluoro-2-methylidenepent-4-enamide
SMILESC=CC(F)C(=C)C(N)=O
InChIInChI=1S/C6H8FNO/c1-3-5(7)4(2)6(8)9/h3,5H,1-2H2,(H2,8,9)
InChIKeyIGVPSWOCDOGLJX-UHFFFAOYSA-N
MW129.13 g/mol
LogP0.55
Rot. Bonds3

About 3-fluoro-2-methylidenepent-4-enamide

3-fluoro-2-methylidenepent-4-enamide (PubChem CID 87881753) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 3-fluoro-2-methylidenepent-4-enamide.

Molecular Properties

Compound Name3-fluoro-2-methylidenepent-4-enamide
PubChem CID87881753
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name3-fluoro-2-methylidenepent-4-enamide
SMILESC=CC(F)C(=C)C(N)=O
InChIInChI=1S/C6H8FNO/c1-3-5(7)4(2)6(8)9/h3,5H,1-2H2,(H2,8,9)
InChIKeyIGVPSWOCDOGLJX-UHFFFAOYSA-N
XLogP0.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidenepent-4-enamide?
The IUPAC name of 3-fluoro-2-methylidenepent-4-enamide (CID 87881753) is 3-fluoro-2-methylidenepent-4-enamide.
What is the SMILES notation for 3-fluoro-2-methylidenepent-4-enamide?
The canonical SMILES for 3-fluoro-2-methylidenepent-4-enamide is C=CC(F)C(=C)C(N)=O.
What is the InChIKey of 3-fluoro-2-methylidenepent-4-enamide?
The InChIKey is IGVPSWOCDOGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-3-5(7)4(2)6(8)9/h3,5H,1-2H2,(H2,8,9).
What are the key properties of 3-fluoro-2-methylidenepent-4-enamide?
3-fluoro-2-methylidenepent-4-enamide has a molecular weight of 129.13 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidenepent-4-enamide is sourced from PubChem (CID 87881753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).