4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide

C10H19NO2 — CID 90243249

IUPAC4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
SMILESCC1(O)CCC(C(N)=O)C(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-9(2)6-10(3,13)5-4-7(9)8(11)12/h7,13H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAAXCUZKIBUDAII-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.05
Rot. Bonds1

About 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide

4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide (PubChem CID 90243249) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
PubChem CID90243249
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
SMILESCC1(O)CCC(C(N)=O)C(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-9(2)6-10(3,13)5-4-7(9)8(11)12/h7,13H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAAXCUZKIBUDAII-UHFFFAOYSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide (CID 90243249) is 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide is CC1(O)CCC(C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide?
The InChIKey is AAXCUZKIBUDAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)6-10(3,13)5-4-7(9)8(11)12/h7,13H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide?
4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 90243249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).