2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide

C11H17NO2 — CID 174448310

IUPAC2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(CC(N)=O)C(=O)C2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-11(10,6-9(12)14)8(13)5-7/h7H,3-6H2,1-2H3,(H2,12,14)
InChIKeyQAUFIRYHEINQGM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.26
Rot. Bonds2

About 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide

2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 174448310) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID174448310
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(CC(N)=O)C(=O)C2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-11(10,6-9(12)14)8(13)5-7/h7H,3-6H2,1-2H3,(H2,12,14)
InChIKeyQAUFIRYHEINQGM-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide (CID 174448310) is 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(CC(N)=O)C(=O)C2.
What is the InChIKey of 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is QAUFIRYHEINQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)7-3-4-11(10,6-9(12)14)8(13)5-7/h7H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide?
2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 174448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).