N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide

C12H21NO — CID 558188

IUPACN-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide
SMILESCC(=O)NC1CC(C(C)C)CC=C1C
InChIInChI=1S/C12H21NO/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14/h5,8,11-12H,6-7H2,1-4H3,(H,13,14)
InChIKeyIYKRBUAHMLXGDT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds2

About N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide

N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide (PubChem CID 558188) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide
PubChem CID558188
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide
SMILESCC(=O)NC1CC(C(C)C)CC=C1C
InChIInChI=1S/C12H21NO/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14/h5,8,11-12H,6-7H2,1-4H3,(H,13,14)
InChIKeyIYKRBUAHMLXGDT-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-((1R,5S)-2-methyl-5-(2-propionamidopropan-2-yl)cyclohex-2-en-1-yl)propionamide
CID 658528
Acetamide, N-[1-methyl-1-(4-methylcyclohex-3-enyl)ethyl]-
CID 379926
(E)-4-methyl-N-(2-methylcyclohexyl)pent-2-enamide
CID 57527781
2-Carene-8-acetamide
CID 139591326
N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
CID 3110817
N-{1-methyl-1-[4-methyl-5-(propanoylamino)cyclohex-3-enyl]ethyl}propanamide
CID 3555054
N-[(1R,4S,6R)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide
CID 101332364
N-(1-(5-(Acetylamino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)acetamide
CID 375998
N-[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]azetidin-3-yl]acetamide
CID 121570421
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide
CID 155036911
2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
CID 157204878

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide?
The IUPAC name of N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide (CID 558188) is N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide is CC(=O)NC1CC(C(C)C)CC=C1C.
What is the InChIKey of N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide?
The InChIKey is IYKRBUAHMLXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14/h5,8,11-12H,6-7H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide?
N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)acetamide is sourced from PubChem (CID 558188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).