(E)-N-tert-butylnon-2-enamide

C13H25NO — CID 135063217

IUPAC(E)-N-tert-butylnon-2-enamide
SMILESCCCCCC/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)/b11-10+
InChIKeyCUEBHDPNYXWNHG-ZHACJKMWSA-N
MW211.35 g/mol
LogP3.43
Rot. Bonds6

About (E)-N-tert-butylnon-2-enamide

(E)-N-tert-butylnon-2-enamide (PubChem CID 135063217) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-N-tert-butylnon-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butylnon-2-enamide
PubChem CID135063217
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-N-tert-butylnon-2-enamide
SMILESCCCCCC/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)/b11-10+
InChIKeyCUEBHDPNYXWNHG-ZHACJKMWSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butylnon-2-enamide?
The IUPAC name of (E)-N-tert-butylnon-2-enamide (CID 135063217) is (E)-N-tert-butylnon-2-enamide.
What is the SMILES notation for (E)-N-tert-butylnon-2-enamide?
The canonical SMILES for (E)-N-tert-butylnon-2-enamide is CCCCCC/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butylnon-2-enamide?
The InChIKey is CUEBHDPNYXWNHG-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-7-8-9-10-11-12(15)14-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)/b11-10+.
What are the key properties of (E)-N-tert-butylnon-2-enamide?
(E)-N-tert-butylnon-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butylnon-2-enamide is sourced from PubChem (CID 135063217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).