N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide

C15H24FNO2 — CID 166882200

IUPACN-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC(C)CC/C(F)=C/C(=O)C(C)C
InChIInChI=1S/C15H24FNO2/c1-10(2)8-15(19)17-12(5)6-7-13(16)9-14(18)11(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,17,19)/b13-9-
InChIKeyXOPYAHYJNQZNQG-LCYFTJDESA-N
MW269.36 g/mol
LogP3.32
Rot. Bonds7

About N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide

N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide (PubChem CID 166882200) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide
PubChem CID166882200
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC(C)CC/C(F)=C/C(=O)C(C)C
InChIInChI=1S/C15H24FNO2/c1-10(2)8-15(19)17-12(5)6-7-13(16)9-14(18)11(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,17,19)/b13-9-
InChIKeyXOPYAHYJNQZNQG-LCYFTJDESA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide?
The IUPAC name of N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide (CID 166882200) is N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide is CC(C)=CC(=O)NC(C)CC/C(F)=C/C(=O)C(C)C.
What is the InChIKey of N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide?
The InChIKey is XOPYAHYJNQZNQG-LCYFTJDESA-N. The full InChI is InChI=1S/C15H24FNO2/c1-10(2)8-15(19)17-12(5)6-7-13(16)9-14(18)11(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,17,19)/b13-9-.
What are the key properties of N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide?
N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide has a molecular weight of 269.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide is sourced from PubChem (CID 166882200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).