(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide

C12H19NO2 — CID 10878394

IUPAC(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
SMILESCC(=O)/C(C)=C/C(=O)NC1CCCCC1
InChIInChI=1S/C12H19NO2/c1-9(10(2)14)8-12(15)13-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,15)/b9-8+
InChIKeyZBCKJHBOCSKOLQ-CMDGGOBGSA-N
MW209.29 g/mol
LogP1.97
Rot. Bonds3

About (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide

(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide (PubChem CID 10878394) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
PubChem CID10878394
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
SMILESCC(=O)/C(C)=C/C(=O)NC1CCCCC1
InChIInChI=1S/C12H19NO2/c1-9(10(2)14)8-12(15)13-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,15)/b9-8+
InChIKeyZBCKJHBOCSKOLQ-CMDGGOBGSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
(Z)-N-cyclopentyl-3-methoxybut-2-enamide
CID 70612177
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-(cyclohexylcarbamothioyl)-3-methylbut-2-enamide
CID 45051482
N-cyclohexyl-2-oxopropanamide
CID 12861109
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
N-cyclohexylhexa-2,4-dienamide
CID 71382981
N-cyclodecylprop-2-enamide
CID 18400354
4-(cyclohexylamino)-3-methylpent-3-en-2-one
CID 74047718
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
methyl (2Z)-6-(cyclohexylamino)-4-hydroxy-6-oxohexa-2,4-dienoate
CID 54716129
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide (CID 10878394) is (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide is CC(=O)/C(C)=C/C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide?
The InChIKey is ZBCKJHBOCSKOLQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(10(2)14)8-12(15)13-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,15)/b9-8+.
What are the key properties of (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide?
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide has a molecular weight of 209.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide is sourced from PubChem (CID 10878394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).