N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide

C11H19NO — CID 146393547

IUPACN-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide
SMILESCCC12CCCC(NC(C)=O)(C1)C2
InChIInChI=1S/C11H19NO/c1-3-10-5-4-6-11(7-10,8-10)12-9(2)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyASYRTQJOXDZDHY-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds2

About N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide

N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide (PubChem CID 146393547) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide
PubChem CID146393547
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide
SMILESCCC12CCCC(NC(C)=O)(C1)C2
InChIInChI=1S/C11H19NO/c1-3-10-5-4-6-11(7-10,8-10)12-9(2)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyASYRTQJOXDZDHY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 153349343
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N-(4-methyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 118411518
N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide
CID 142562212
N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)cyclopropanecarboxamide
CID 130444150
N-(1-acetylcyclobutyl)acetamide
CID 59658507
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020
1-acetamidocyclobutane-1-carboxamide
CID 58720910
N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
CID 10514046
N-(1-ethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 115673150
1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 131169567

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide?
The IUPAC name of N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide (CID 146393547) is N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide.
What is the SMILES notation for N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide?
The canonical SMILES for N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide is CCC12CCCC(NC(C)=O)(C1)C2.
What is the InChIKey of N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide?
The InChIKey is ASYRTQJOXDZDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10-5-4-6-11(7-10,8-10)12-9(2)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide?
N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide is sourced from PubChem (CID 146393547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).