N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide

C12H19NO2 — CID 155004820

IUPACN-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide
SMILESCC(=O)N(C)C(=O)C1=CCC(C)C(C)C1
InChIInChI=1S/C12H19NO2/c1-8-5-6-11(7-9(8)2)12(15)13(4)10(3)14/h6,8-9H,5,7H2,1-4H3
InChIKeyRALXGAGAGKZVET-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.98
Rot. Bonds1

About N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide

N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide (PubChem CID 155004820) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide
PubChem CID155004820
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide
SMILESCC(=O)N(C)C(=O)C1=CCC(C)C(C)C1
InChIInChI=1S/C12H19NO2/c1-8-5-6-11(7-9(8)2)12(15)13(4)10(3)14/h6,8-9H,5,7H2,1-4H3
InChIKeyRALXGAGAGKZVET-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide?
The IUPAC name of N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide (CID 155004820) is N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide.
What is the SMILES notation for N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide?
The canonical SMILES for N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide is CC(=O)N(C)C(=O)C1=CCC(C)C(C)C1.
What is the InChIKey of N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide?
The InChIKey is RALXGAGAGKZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-6-11(7-9(8)2)12(15)13(4)10(3)14/h6,8-9H,5,7H2,1-4H3.
What are the key properties of N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide?
N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N,4,5-trimethylcyclohexene-1-carboxamide is sourced from PubChem (CID 155004820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).