N-cyclohexyl-N-methylbut-2-enamide

C11H19NO — CID 78907896

IUPACN-cyclohexyl-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h3,7,10H,4-6,8-9H2,1-2H3
InChIKeyJGEVZVWZPBQTFC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.35
Rot. Bonds2

About N-cyclohexyl-N-methylbut-2-enamide

N-cyclohexyl-N-methylbut-2-enamide (PubChem CID 78907896) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclohexyl-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methylbut-2-enamide
PubChem CID78907896
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclohexyl-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h3,7,10H,4-6,8-9H2,1-2H3
InChIKeyJGEVZVWZPBQTFC-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)but-2-enamide
CID 112725199
4-[cyclohexyl(methyl)amino]-4-oxobut-2-enoate
CID 3628246
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735
N-cyclobutyl-N-methyl-2-oxoacetamide
CID 115166163
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
N-cyclopentyl-N-(2-methylpropyl)but-2-enamide
CID 112725797
1-cyclooctyl-1-methylurea
CID 126989312
2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide
CID 123846624
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylbut-2-enamide?
The IUPAC name of N-cyclohexyl-N-methylbut-2-enamide (CID 78907896) is N-cyclohexyl-N-methylbut-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-methylbut-2-enamide?
The canonical SMILES for N-cyclohexyl-N-methylbut-2-enamide is CC=CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylbut-2-enamide?
The InChIKey is JGEVZVWZPBQTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h3,7,10H,4-6,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methylbut-2-enamide?
N-cyclohexyl-N-methylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylbut-2-enamide is sourced from PubChem (CID 78907896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).