(2E,6Z)-N-tert-butylnona-2,6-dienamide

C13H23NO — CID 11367800

IUPAC(2E,6Z)-N-tert-butylnona-2,6-dienamide
SMILESCC/C=C\CC/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C13H23NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)/b7-6-,11-10+
InChIKeyPPWJACKBBCTCPE-JFEAUALZSA-N
MW209.33 g/mol
LogP3.20
Rot. Bonds5

About (2E,6Z)-N-tert-butylnona-2,6-dienamide

(2E,6Z)-N-tert-butylnona-2,6-dienamide (PubChem CID 11367800) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2E,6Z)-N-tert-butylnona-2,6-dienamide.

Molecular Properties

Compound Name(2E,6Z)-N-tert-butylnona-2,6-dienamide
PubChem CID11367800
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2E,6Z)-N-tert-butylnona-2,6-dienamide
SMILESCC/C=C\CC/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C13H23NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)/b7-6-,11-10+
InChIKeyPPWJACKBBCTCPE-JFEAUALZSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-N-tert-butylnona-2,6-dienamide?
The IUPAC name of (2E,6Z)-N-tert-butylnona-2,6-dienamide (CID 11367800) is (2E,6Z)-N-tert-butylnona-2,6-dienamide.
What is the SMILES notation for (2E,6Z)-N-tert-butylnona-2,6-dienamide?
The canonical SMILES for (2E,6Z)-N-tert-butylnona-2,6-dienamide is CC/C=C\CC/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (2E,6Z)-N-tert-butylnona-2,6-dienamide?
The InChIKey is PPWJACKBBCTCPE-JFEAUALZSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)/b7-6-,11-10+.
What are the key properties of (2E,6Z)-N-tert-butylnona-2,6-dienamide?
(2E,6Z)-N-tert-butylnona-2,6-dienamide has a molecular weight of 209.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N-tert-butylnona-2,6-dienamide is sourced from PubChem (CID 11367800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).