N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C11H19NO — CID 4896559

IUPACN-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCC1CC2CC(NC(C)=O)C1C2
InChIInChI=1S/C11H19NO/c1-3-9-4-8-5-10(9)11(6-8)12-7(2)13/h8-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyDUPBBXMGYXAPCU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

About N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide

N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 4896559) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID4896559
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCC1CC2CC(NC(C)=O)C1C2
InChIInChI=1S/C11H19NO/c1-3-9-4-8-5-10(9)11(6-8)12-7(2)13/h8-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyDUPBBXMGYXAPCU-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 4896559) is N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CCC1CC2CC(NC(C)=O)C1C2.
What is the InChIKey of N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is DUPBBXMGYXAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9-4-8-5-10(9)11(6-8)12-7(2)13/h8-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 4896559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).