N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide

C10H17NO — CID 98230994

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCCC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H17NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-,9+/m1/s1
InChIKeyJOFUFNWAHKZRDO-HLTSFMKQSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds2

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

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 98230994) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID98230994
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCCC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H17NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-,9+/m1/s1
InChIKeyJOFUFNWAHKZRDO-HLTSFMKQSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
CID 3064442
N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylsulfamoyl)acetamide
CID 71984128
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 67074263
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
CID 115642104
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 21383086
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
CID 78995764

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide (CID 98230994) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide is CCC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is JOFUFNWAHKZRDO-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-,9+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide has a molecular weight of 167.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 98230994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).