7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide

C14H17F3N2O2 — CID 123266509

IUPAC7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
SMILESC=C(C=CC=C(C)C(F)(F)F)C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H17F3N2O2/c1-9(5-3-6-10(2)14(15,16)17)12(20)19-11-7-4-8-18-13(11)21/h3,5-6,11H,1,4,7-8H2,2H3,(H,18,21)(H,19,20)
InChIKeyXUFQTOKGFCNVKQ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.00
Rot. Bonds4

About 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide

7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide (PubChem CID 123266509) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide.

Molecular Properties

Compound Name7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
PubChem CID123266509
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
SMILESC=C(C=CC=C(C)C(F)(F)F)C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H17F3N2O2/c1-9(5-3-6-10(2)14(15,16)17)12(20)19-11-7-4-8-18-13(11)21/h3,5-6,11H,1,4,7-8H2,2H3,(H,18,21)(H,19,20)
InChIKeyXUFQTOKGFCNVKQ-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide?
The IUPAC name of 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide (CID 123266509) is 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide.
What is the SMILES notation for 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide?
The canonical SMILES for 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide is C=C(C=CC=C(C)C(F)(F)F)C(=O)NC1CCCNC1=O.
What is the InChIKey of 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide?
The InChIKey is XUFQTOKGFCNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(5-3-6-10(2)14(15,16)17)12(20)19-11-7-4-8-18-13(11)21/h3,5-6,11H,1,4,7-8H2,2H3,(H,18,21)(H,19,20).
What are the key properties of 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide?
7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide has a molecular weight of 302.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide is sourced from PubChem (CID 123266509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).