3-cyclohexyl-2-methylbut-2-enamide

C11H19NO — CID 70347736

IUPAC3-cyclohexyl-2-methylbut-2-enamide
SMILESCC(C(N)=O)=C(C)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMGDCAARNMMYCBQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds2

About 3-cyclohexyl-2-methylbut-2-enamide

3-cyclohexyl-2-methylbut-2-enamide (PubChem CID 70347736) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylbut-2-enamide.

Molecular Properties

Compound Name3-cyclohexyl-2-methylbut-2-enamide
PubChem CID70347736
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-cyclohexyl-2-methylbut-2-enamide
SMILESCC(C(N)=O)=C(C)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMGDCAARNMMYCBQ-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 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 ≤ 52.39
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

4-amino-3-cyclohexyl-2-methyl-4-oxobut-2-enoic acid
CID 67832855
(E)-3-cyclopentylbut-2-en-2-amine
CID 174028548
(Z)-3-cyclohexylbut-2-enamide
CID 19353012
3-cyclopentyl-2,4,4-trimethylpent-2-enoic acid
CID 121364182
acetamide;cyclopentane
CID 67941075
[amino(cyclohexyl)methylidene]azanide
CID 143006699
(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
CID 165441204
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate
CID 174057672
2-cyclohexylbut-2-enediamide
CID 151583610
3-cycloheptylbut-3-en-2-one
CID 89298761
acetyl chloride;cycloheptane;cycloheptanecarboxylic acid
CID 157332858

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylbut-2-enamide?
The IUPAC name of 3-cyclohexyl-2-methylbut-2-enamide (CID 70347736) is 3-cyclohexyl-2-methylbut-2-enamide.
What is the SMILES notation for 3-cyclohexyl-2-methylbut-2-enamide?
The canonical SMILES for 3-cyclohexyl-2-methylbut-2-enamide is CC(C(N)=O)=C(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methylbut-2-enamide?
The InChIKey is MGDCAARNMMYCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-cyclohexyl-2-methylbut-2-enamide?
3-cyclohexyl-2-methylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylbut-2-enamide is sourced from PubChem (CID 70347736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).