N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide

C9H15NO2 — CID 142562212

IUPACN-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC(=O)NC12CCC(O)(CC1)C2
InChIInChI=1S/C9H15NO2/c1-7(11)10-8-2-4-9(12,6-8)5-3-8/h12H,2-6H2,1H3,(H,10,11)
InChIKeyBOFZWZFPQGEEQN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.57
Rot. Bonds1

About N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide

N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 142562212) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID142562212
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC(=O)NC12CCC(O)(CC1)C2
InChIInChI=1S/C9H15NO2/c1-7(11)10-8-2-4-9(12,6-8)5-3-8/h12H,2-6H2,1H3,(H,10,11)
InChIKeyBOFZWZFPQGEEQN-UHFFFAOYSA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide (CID 142562212) is N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide is CC(=O)NC12CCC(O)(CC1)C2.
What is the InChIKey of N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is BOFZWZFPQGEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)10-8-2-4-9(12,6-8)5-3-8/h12H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide?
N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 142562212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).