N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide

C12H21FN2O — CID 121336103

IUPACN-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide
SMILESCNC/C=C(F)\C=C/CCCCNC(C)=O
InChIInChI=1S/C12H21FN2O/c1-11(16)15-9-6-4-3-5-7-12(13)8-10-14-2/h5,7-8,14H,3-4,6,9-10H2,1-2H3,(H,15,16)/b7-5-,12-8+
InChIKeyPICNMCXWMMDSLL-BAIUDDDUSA-N
MW228.31 g/mol
LogP1.92
Rot. Bonds8

About N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide

N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide (PubChem CID 121336103) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide.

Molecular Properties

Compound NameN-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide
PubChem CID121336103
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide
SMILESCNC/C=C(F)\C=C/CCCCNC(C)=O
InChIInChI=1S/C12H21FN2O/c1-11(16)15-9-6-4-3-5-7-12(13)8-10-14-2/h5,7-8,14H,3-4,6,9-10H2,1-2H3,(H,15,16)/b7-5-,12-8+
InChIKeyPICNMCXWMMDSLL-BAIUDDDUSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide?
The IUPAC name of N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide (CID 121336103) is N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide.
What is the SMILES notation for N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide?
The canonical SMILES for N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide is CNC/C=C(F)\C=C/CCCCNC(C)=O.
What is the InChIKey of N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide?
The InChIKey is PICNMCXWMMDSLL-BAIUDDDUSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-11(16)15-9-6-4-3-5-7-12(13)8-10-14-2/h5,7-8,14H,3-4,6,9-10H2,1-2H3,(H,15,16)/b7-5-,12-8+.
What are the key properties of N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide?
N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide has a molecular weight of 228.31 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide is sourced from PubChem (CID 121336103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).