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

C11H19NO — CID 13039165

IUPAC2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(CC(N)=O)CC2
InChIInChI=1S/C11H19NO/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyXITUQSVNZDSLOM-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.08
Rot. Bonds2

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

2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 13039165) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID13039165
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(CC(N)=O)CC2
InChIInChI=1S/C11H19NO/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyXITUQSVNZDSLOM-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
CID 174448310
2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide
CID 98989522
acetic acid;guanidine;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174415589
1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one
CID 130027677
(2S)-2-acetamido-3-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)propanoic acid
CID 56987297
2-(1-ethylcyclopropyl)acetamide
CID 67691253
1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylmethanamine;hydrochloride
CID 155858598
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
1-(2-methoxyethyl)-7,7-dimethylbicyclo[2.2.1]heptane
CID 121016313
ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
CID 145029599
2-(4-methyloxan-4-yl)acetamide
CID 137499101
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide (CID 13039165) is 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(CC(N)=O)CC2.
What is the InChIKey of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is XITUQSVNZDSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide?
2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 13039165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).