(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide

C16H24FNO — CID 138698835

IUPAC(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide
SMILESC/C=C(F)\C=C(C=C(C)CC)\C(=C/CCC)C(N)=O
InChIInChI=1S/C16H24FNO/c1-5-8-9-15(16(18)19)13(10-12(4)6-2)11-14(17)7-3/h7,9-11H,5-6,8H2,1-4H3,(H2,18,19)/b12-10?,13-11+,14-7+,15-9+
InChIKeyFIHBEVOEMNNXJK-JZSZCJFYSA-N
MW265.37 g/mol
LogP4.35
Rot. Bonds7

About (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide

(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide (PubChem CID 138698835) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide.

Molecular Properties

Compound Name(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide
PubChem CID138698835
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide
SMILESC/C=C(F)\C=C(C=C(C)CC)\C(=C/CCC)C(N)=O
InChIInChI=1S/C16H24FNO/c1-5-8-9-15(16(18)19)13(10-12(4)6-2)11-14(17)7-3/h7,9-11H,5-6,8H2,1-4H3,(H2,18,19)/b12-10?,13-11+,14-7+,15-9+
InChIKeyFIHBEVOEMNNXJK-JZSZCJFYSA-N
XLogP4.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.35
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'}

Analyze (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide with MolForge

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Related Compounds

(E)-2-ethylhex-2-enamide
CID 87982228
ethyl 2-carbamoylhex-2-enoate
CID 90691154
2-methylhex-2-enamide;hydrochloride
CID 141109029
(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide
CID 142170609
(Z)-2-aminohex-2-enamide
CID 55284106
(E)-3-methylpent-2-enoic acid
CID 5473433
(Z)-2-aminohex-2-enamide;hydrochloride
CID 87933245
2-methylhex-2-enamide;propan-1-amine
CID 174435970
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
(Z)-4-methylhex-3-en-2-one
CID 12930146
(E)-3-iodohept-3-en-2-one
CID 101368269
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293

Frequently Asked Questions

What is the IUPAC name of (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide?
The IUPAC name of (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide (CID 138698835) is (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide.
What is the SMILES notation for (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide?
The canonical SMILES for (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide is C/C=C(F)\C=C(C=C(C)CC)\C(=C/CCC)C(N)=O.
What is the InChIKey of (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide?
The InChIKey is FIHBEVOEMNNXJK-JZSZCJFYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-8-9-15(16(18)19)13(10-12(4)6-2)11-14(17)7-3/h7,9-11H,5-6,8H2,1-4H3,(H2,18,19)/b12-10?,13-11+,14-7+,15-9+.
What are the key properties of (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide?
(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide has a molecular weight of 265.37 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide is sourced from PubChem (CID 138698835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).