3,5,5-trimethylhex-2-enamide

C9H17NO — CID 88743571

IUPAC3,5,5-trimethylhex-2-enamide
SMILESCC(=CC(N)=O)CC(C)(C)C
InChIInChI=1S/C9H17NO/c1-7(5-8(10)11)6-9(2,3)4/h5H,6H2,1-4H3,(H2,10,11)
InChIKeyZENLWIDZQHKEHD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds2

About 3,5,5-trimethylhex-2-enamide

3,5,5-trimethylhex-2-enamide (PubChem CID 88743571) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3,5,5-trimethylhex-2-enamide.

Molecular Properties

Compound Name3,5,5-trimethylhex-2-enamide
PubChem CID88743571
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3,5,5-trimethylhex-2-enamide
SMILESCC(=CC(N)=O)CC(C)(C)C
InChIInChI=1S/C9H17NO/c1-7(5-8(10)11)6-9(2,3)4/h5H,6H2,1-4H3,(H2,10,11)
InChIKeyZENLWIDZQHKEHD-UHFFFAOYSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
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

(Z)-4,6,6-trimethylhept-3-en-2-one
CID 12636167
6,8,8-trimethylnona-2,5-dien-4-one
CID 3024518
3,5,5-trimethylhex-2-enal
CID 529962
(E)-3,5,5-trimethylhex-2-enal
CID 5352913
3-amino-4,4-dimethylpent-2-enamide
CID 143267378
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
CID 159178711
CID 159178711
1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene
CID 71390342
2,2,4,6,6,8,8-heptamethylnon-4-ene
CID 57218431
2,4,6,6-tetramethylhept-3-ene
CID 76726617
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
ethyl 5-hydroxy-3,5-dimethylhex-2-enoate
CID 71444373

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylhex-2-enamide?
The IUPAC name of 3,5,5-trimethylhex-2-enamide (CID 88743571) is 3,5,5-trimethylhex-2-enamide.
What is the SMILES notation for 3,5,5-trimethylhex-2-enamide?
The canonical SMILES for 3,5,5-trimethylhex-2-enamide is CC(=CC(N)=O)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethylhex-2-enamide?
The InChIKey is ZENLWIDZQHKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(5-8(10)11)6-9(2,3)4/h5H,6H2,1-4H3,(H2,10,11).
What are the key properties of 3,5,5-trimethylhex-2-enamide?
3,5,5-trimethylhex-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylhex-2-enamide is sourced from PubChem (CID 88743571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).