(E)-N-cyclohexyl-2-methylbut-2-enamide

C11H19NO — CID 14316395

IUPAC(E)-N-cyclohexyl-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)11(13)12-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3,(H,12,13)/b9-3+
InChIKeySQDMUEUCUGSFJG-YCRREMRBSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds2

About (E)-N-cyclohexyl-2-methylbut-2-enamide

(E)-N-cyclohexyl-2-methylbut-2-enamide (PubChem CID 14316395) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-cyclohexyl-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-2-methylbut-2-enamide
PubChem CID14316395
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-N-cyclohexyl-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)11(13)12-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3,(H,12,13)/b9-3+
InChIKeySQDMUEUCUGSFJG-YCRREMRBSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.40
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

(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
N-cyclohexyl-2-oxopropanamide
CID 12861109
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
2-[[(Z)-2-methylbut-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 115909861
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 175055430
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110298620
N-cyclooctyl-2-hydrazinyl-2-oxoacetamide
CID 43163933
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-2-methylbut-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-2-methylbut-2-enamide (CID 14316395) is (E)-N-cyclohexyl-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-2-methylbut-2-enamide is C/C=C(\C)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-2-methylbut-2-enamide?
The InChIKey is SQDMUEUCUGSFJG-YCRREMRBSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9(2)11(13)12-10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3,(H,12,13)/b9-3+.
What are the key properties of (E)-N-cyclohexyl-2-methylbut-2-enamide?
(E)-N-cyclohexyl-2-methylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-2-methylbut-2-enamide is sourced from PubChem (CID 14316395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).