N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C11H19NO — CID 11913392

IUPACN-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC[C@@H]1C[C@H]2C[C@@H]1[C@H](NC(C)=O)C2
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)/t8-,9+,10-,11+/m0/s1
InChIKeyDUPBBXMGYXAPCU-ZRUFSTJUSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

About N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide

N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 11913392) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID11913392
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC[C@@H]1C[C@H]2C[C@@H]1[C@H](NC(C)=O)C2
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)/t8-,9+,10-,11+/m0/s1
InChIKeyDUPBBXMGYXAPCU-ZRUFSTJUSA-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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Related Compounds

N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
N-(2-ethyl-4-methylcyclobutyl)acetamide
CID 145484157
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide
CID 130884658
N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide
CID 15811994
N-[(1R,2S)-2-piperidin-4-ylcyclopropyl]acetamide
CID 131008531
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
CID 178194580
N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide
CID 175740422

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 11913392) is N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC[C@@H]1C[C@H]2C[C@@H]1[C@H](NC(C)=O)C2.
What is the InChIKey of N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is DUPBBXMGYXAPCU-ZRUFSTJUSA-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)/t8-,9+,10-,11+/m0/s1.
What are the key properties of N-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
N-[(1S,2R,4S,6R)-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-[(1S,2R,4S,6R)-6-ethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 11913392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).