(E)-N-tert-butyl-5,5-dimethylhex-2-enamide

C12H23NO — CID 58901417

IUPAC(E)-N-tert-butyl-5,5-dimethylhex-2-enamide
SMILESCC(C)(C)C/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C12H23NO/c1-11(2,3)9-7-8-10(14)13-12(4,5)6/h7-8H,9H2,1-6H3,(H,13,14)/b8-7+
InChIKeyIPCMKHKJIQYYOZ-BQYQJAHWSA-N
MW197.32 g/mol
LogP2.89
Rot. Bonds2

About (E)-N-tert-butyl-5,5-dimethylhex-2-enamide

(E)-N-tert-butyl-5,5-dimethylhex-2-enamide (PubChem CID 58901417) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N-tert-butyl-5,5-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-5,5-dimethylhex-2-enamide
PubChem CID58901417
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N-tert-butyl-5,5-dimethylhex-2-enamide
SMILESCC(C)(C)C/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C12H23NO/c1-11(2,3)9-7-8-10(14)13-12(4,5)6/h7-8H,9H2,1-6H3,(H,13,14)/b8-7+
InChIKeyIPCMKHKJIQYYOZ-BQYQJAHWSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-5,5-dimethylhex-2-enamide?
The IUPAC name of (E)-N-tert-butyl-5,5-dimethylhex-2-enamide (CID 58901417) is (E)-N-tert-butyl-5,5-dimethylhex-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-5,5-dimethylhex-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-5,5-dimethylhex-2-enamide is CC(C)(C)C/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-5,5-dimethylhex-2-enamide?
The InChIKey is IPCMKHKJIQYYOZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)9-7-8-10(14)13-12(4,5)6/h7-8H,9H2,1-6H3,(H,13,14)/b8-7+.
What are the key properties of (E)-N-tert-butyl-5,5-dimethylhex-2-enamide?
(E)-N-tert-butyl-5,5-dimethylhex-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-5,5-dimethylhex-2-enamide is sourced from PubChem (CID 58901417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).