(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide

C12H21NO — CID 135056552

IUPAC(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)10(3)7-8-11(14)13-12(4,5)6/h7-9H,3H2,1-2,4-6H3,(H,13,14)/b8-7+
InChIKeyNCNOKMFDZGMCDP-BQYQJAHWSA-N
MW195.31 g/mol
LogP2.67
Rot. Bonds3

About (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide

(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide (PubChem CID 135056552) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
PubChem CID135056552
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)10(3)7-8-11(14)13-12(4,5)6/h7-9H,3H2,1-2,4-6H3,(H,13,14)/b8-7+
InChIKeyNCNOKMFDZGMCDP-BQYQJAHWSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide?
The IUPAC name of (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide (CID 135056552) is (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide is C=C(/C=C/C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide?
The InChIKey is NCNOKMFDZGMCDP-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)10(3)7-8-11(14)13-12(4,5)6/h7-9H,3H2,1-2,4-6H3,(H,13,14)/b8-7+.
What are the key properties of (E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide?
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.67, 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-methyl-4-methylidenehex-2-enamide is sourced from PubChem (CID 135056552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).