2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide

C9H15NO2 — CID 13255391

IUPAC2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide
SMILESCC1(C(O)C(N)=O)CC=CCC1
InChIInChI=1S/C9H15NO2/c1-9(7(11)8(10)12)5-3-2-4-6-9/h2-3,7,11H,4-6H2,1H3,(H2,10,12)
InChIKeyIESNAEMIKAONCU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.58
Rot. Bonds2

About 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide

2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide (PubChem CID 13255391) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide
PubChem CID13255391
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide
SMILESCC1(C(O)C(N)=O)CC=CCC1
InChIInChI=1S/C9H15NO2/c1-9(7(11)8(10)12)5-3-2-4-6-9/h2-3,7,11H,4-6H2,1H3,(H2,10,12)
InChIKeyIESNAEMIKAONCU-UHFFFAOYSA-N
XLogP0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide?
The IUPAC name of 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide (CID 13255391) is 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide.
What is the SMILES notation for 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide?
The canonical SMILES for 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide is CC1(C(O)C(N)=O)CC=CCC1.
What is the InChIKey of 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide?
The InChIKey is IESNAEMIKAONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(7(11)8(10)12)5-3-2-4-6-9/h2-3,7,11H,4-6H2,1H3,(H2,10,12).
What are the key properties of 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide?
2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide is sourced from PubChem (CID 13255391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).