(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide

C9H14FNO — CID 89341011

IUPAC(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide
SMILESC=C/C=C(\CCCF)C(=O)NC
InChIInChI=1S/C9H14FNO/c1-3-5-8(6-4-7-10)9(12)11-2/h3,5H,1,4,6-7H2,2H3,(H,11,12)/b8-5+
InChIKeyHIKXEJPCDOYNDG-VMPITWQZSA-N
MW171.22 g/mol
LogP1.59
Rot. Bonds5

About (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide

(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide (PubChem CID 89341011) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide
PubChem CID89341011
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide
SMILESC=C/C=C(\CCCF)C(=O)NC
InChIInChI=1S/C9H14FNO/c1-3-5-8(6-4-7-10)9(12)11-2/h3,5H,1,4,6-7H2,2H3,(H,11,12)/b8-5+
InChIKeyHIKXEJPCDOYNDG-VMPITWQZSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide (CID 89341011) is (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide is C=C/C=C(\CCCF)C(=O)NC.
What is the InChIKey of (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide?
The InChIKey is HIKXEJPCDOYNDG-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14FNO/c1-3-5-8(6-4-7-10)9(12)11-2/h3,5H,1,4,6-7H2,2H3,(H,11,12)/b8-5+.
What are the key properties of (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide?
(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide has a molecular weight of 171.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 89341011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).