2-(3,5,5-trimethylcyclohexen-1-yl)acetamide

C11H19NO — CID 19768901

IUPAC2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
SMILESCC1C=C(CC(N)=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h4,8H,5-7H2,1-3H3,(H2,12,13)
InChIKeyORGBUQGILXCIIG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds2

About 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide

2-(3,5,5-trimethylcyclohexen-1-yl)acetamide (PubChem CID 19768901) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
PubChem CID19768901
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(3,5,5-trimethylcyclohexen-1-yl)acetamide
SMILESCC1C=C(CC(N)=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h4,8H,5-7H2,1-3H3,(H2,12,13)
InChIKeyORGBUQGILXCIIG-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide (CID 19768901) is 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide is CC1C=C(CC(N)=O)CC(C)(C)C1.
What is the InChIKey of 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
The InChIKey is ORGBUQGILXCIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h4,8H,5-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide?
2-(3,5,5-trimethylcyclohexen-1-yl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5-trimethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 19768901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).