(E)-4-cyclohexyl-N-methylbut-2-enamide

C11H19NO — CID 162387728

IUPAC(E)-4-cyclohexyl-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CC1CCCCC1
InChIInChI=1S/C11H19NO/c1-12-11(13)9-5-8-10-6-3-2-4-7-10/h5,9-10H,2-4,6-8H2,1H3,(H,12,13)/b9-5+
InChIKeyFHIRREQSJSADHW-WEVVVXLNSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About (E)-4-cyclohexyl-N-methylbut-2-enamide

(E)-4-cyclohexyl-N-methylbut-2-enamide (PubChem CID 162387728) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-4-cyclohexyl-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-cyclohexyl-N-methylbut-2-enamide
PubChem CID162387728
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-4-cyclohexyl-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CC1CCCCC1
InChIInChI=1S/C11H19NO/c1-12-11(13)9-5-8-10-6-3-2-4-7-10/h5,9-10H,2-4,6-8H2,1H3,(H,12,13)/b9-5+
InChIKeyFHIRREQSJSADHW-WEVVVXLNSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
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-cyclohexylbut-2-enamide
CID 123964828
N,N'-dimethylbut-2-enediamide
CID 54344026
[(E)-3-cyclohexylprop-1-enyl]boronic acid
CID 6031959
(E)-6-cycloheptyl-2-propan-2-ylhex-4-enoic acid
CID 19868255
cycloheptylmethyl N-methylcarbamate
CID 57322822
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
[(E)-4,4-dimethylpent-2-enyl]cyclohexane
CID 158566714
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
3-methylbut-2-enylcyclohexane
CID 57116063
(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide
CID 170331875
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
[(E)-4,4-dimethylpent-2-enyl]cyclopentane
CID 158566711

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclohexyl-N-methylbut-2-enamide?
The IUPAC name of (E)-4-cyclohexyl-N-methylbut-2-enamide (CID 162387728) is (E)-4-cyclohexyl-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-cyclohexyl-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-cyclohexyl-N-methylbut-2-enamide is CNC(=O)/C=C/CC1CCCCC1.
What is the InChIKey of (E)-4-cyclohexyl-N-methylbut-2-enamide?
The InChIKey is FHIRREQSJSADHW-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-11(13)9-5-8-10-6-3-2-4-7-10/h5,9-10H,2-4,6-8H2,1H3,(H,12,13)/b9-5+.
What are the key properties of (E)-4-cyclohexyl-N-methylbut-2-enamide?
(E)-4-cyclohexyl-N-methylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohexyl-N-methylbut-2-enamide is sourced from PubChem (CID 162387728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).