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

C12H23NO — CID 58901418

IUPAC(Z)-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-FPLPWBNLSA-N
MW197.32 g/mol
LogP2.89
Rot. Bonds2

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

(Z)-N-tert-butyl-5,5-dimethylhex-2-enamide (PubChem CID 58901418) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-5,5-dimethylhex-2-enamide
PubChem CID58901418
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-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-FPLPWBNLSA-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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Related Compounds

(3E,7E,11E)-5,5,8,12-tetramethyl-1-azacyclododeca-3,7,11-trien-2-one
CID 102526052
(3Z)-7-fluoro-5,8-dimethyl-5,8-di(propan-2-yl)-1H-azocin-2-one
CID 173857749
(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
CID 102084152
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
CID 131234353
(2E,4E)-N-tert-butyl-6,6-dimethylhepta-2,4-dienamide
CID 135042526
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
CID 135056552
(E)-N-tert-butylnon-2-enamide
CID 135063217
(E)-N-tert-butyl-5-methylhex-2-enamide
CID 135080469
(E)-N-tert-butyl-4,4-dimethylpent-2-enamide
CID 58790431
(Z)-N-tert-butyl-4,4-dimethylpent-2-enamide
CID 58790434
(E)-N-tert-butyl-5,5-dimethylhex-2-enamide
CID 58901417
(E)-N,2-ditert-butylbut-2-enamide
CID 59503371

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide (CID 58901418) is (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide?
The canonical SMILES for (Z)-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 (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide?
The InChIKey is IPCMKHKJIQYYOZ-FPLPWBNLSA-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 (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide?
(Z)-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 (Z)-N-tert-butyl-5,5-dimethylhex-2-enamide is sourced from PubChem (CID 58901418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).