(E)-N,2-dimethylhex-2-enamide

C8H15NO — CID 21428481

IUPAC(E)-N,2-dimethylhex-2-enamide
SMILESCCC/C=C(\C)C(=O)NC
InChIInChI=1S/C8H15NO/c1-4-5-6-7(2)8(10)9-3/h6H,4-5H2,1-3H3,(H,9,10)/b7-6+
InChIKeyVKYLOLBYPWQZKK-VOTSOKGWSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About (E)-N,2-dimethylhex-2-enamide

(E)-N,2-dimethylhex-2-enamide (PubChem CID 21428481) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-N,2-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethylhex-2-enamide
PubChem CID21428481
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-N,2-dimethylhex-2-enamide
SMILESCCC/C=C(\C)C(=O)NC
InChIInChI=1S/C8H15NO/c1-4-5-6-7(2)8(10)9-3/h6H,4-5H2,1-3H3,(H,9,10)/b7-6+
InChIKeyVKYLOLBYPWQZKK-VOTSOKGWSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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

(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
CID 5275516
(E)-N,2-dimethylbut-2-enamide
CID 12587298
(E)-N-(2-methylprop-2-enyl)hex-2-enamide
CID 177639150
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12007567
(Z)-N,2-dimethylbut-2-enamide
CID 22846678
N,N'-dimethylisopropylacrylamide
CID 117639872
o-lithio-N-methylbenzamide
CID 129713390
N-ethyl-2-(fluoromethyl)pent-2-enamide
CID 123954681
(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide
CID 142523117
7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 142840533
(3Z)-5-fluoro-N,6-dimethyl-2-methylidenehepta-3,5-dienamide
CID 164005764
(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide
CID 166774925

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethylhex-2-enamide?
The IUPAC name of (E)-N,2-dimethylhex-2-enamide (CID 21428481) is (E)-N,2-dimethylhex-2-enamide.
What is the SMILES notation for (E)-N,2-dimethylhex-2-enamide?
The canonical SMILES for (E)-N,2-dimethylhex-2-enamide is CCC/C=C(\C)C(=O)NC.
What is the InChIKey of (E)-N,2-dimethylhex-2-enamide?
The InChIKey is VKYLOLBYPWQZKK-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7(2)8(10)9-3/h6H,4-5H2,1-3H3,(H,9,10)/b7-6+.
What are the key properties of (E)-N,2-dimethylhex-2-enamide?
(E)-N,2-dimethylhex-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethylhex-2-enamide is sourced from PubChem (CID 21428481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).