(E)-N-tert-butyl-5-methylhex-2-enamide

C11H21NO — CID 135080469

IUPAC(E)-N-tert-butyl-5-methylhex-2-enamide
SMILESCC(C)C/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-9(2)7-6-8-10(13)12-11(3,4)5/h6,8-9H,7H2,1-5H3,(H,12,13)/b8-6+
InChIKeyFGQAFJVOBSIZHS-SOFGYWHQSA-N
MW183.29 g/mol
LogP2.50
Rot. Bonds3

About (E)-N-tert-butyl-5-methylhex-2-enamide

(E)-N-tert-butyl-5-methylhex-2-enamide (PubChem CID 135080469) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-tert-butyl-5-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-5-methylhex-2-enamide
PubChem CID135080469
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-tert-butyl-5-methylhex-2-enamide
SMILESCC(C)C/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-9(2)7-6-8-10(13)12-11(3,4)5/h6,8-9H,7H2,1-5H3,(H,12,13)/b8-6+
InChIKeyFGQAFJVOBSIZHS-SOFGYWHQSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.50
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-methylhex-2-enamide?
The IUPAC name of (E)-N-tert-butyl-5-methylhex-2-enamide (CID 135080469) is (E)-N-tert-butyl-5-methylhex-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-5-methylhex-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-5-methylhex-2-enamide is CC(C)C/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-5-methylhex-2-enamide?
The InChIKey is FGQAFJVOBSIZHS-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-6-8-10(13)12-11(3,4)5/h6,8-9H,7H2,1-5H3,(H,12,13)/b8-6+.
What are the key properties of (E)-N-tert-butyl-5-methylhex-2-enamide?
(E)-N-tert-butyl-5-methylhex-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.50, 3 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-methylhex-2-enamide is sourced from PubChem (CID 135080469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).