N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide

C8H13NO2 — CID 91023793

IUPACN-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESCC(=O)NC1C[C@@H]2CC[C@H]1O2
InChIInChI=1S/C8H13NO2/c1-5(10)9-7-4-6-2-3-8(7)11-6/h6-8H,2-4H2,1H3,(H,9,10)/t6-,7?,8+/m0/s1
InChIKeyPLFWDFQLVCSKGG-YPVSKDHRSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds1

About N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide

N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide (PubChem CID 91023793) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
PubChem CID91023793
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESCC(=O)NC1C[C@@H]2CC[C@H]1O2
InChIInChI=1S/C8H13NO2/c1-5(10)9-7-4-6-2-3-8(7)11-6/h6-8H,2-4H2,1H3,(H,9,10)/t6-,7?,8+/m0/s1
InChIKeyPLFWDFQLVCSKGG-YPVSKDHRSA-N
XLogP0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1r,2s,4s)-(7-Oxa-bicyclo[2.2.1]hept-2-yl)-carbamic acid ethyl ester
CID 44185041
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 132346741
N-methyl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 54324201
2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80601618
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80602589
2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80719983
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 80721149
2,2-difluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 103515856
2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 103760523
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113480886
2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 114038229
2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 130165220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
The IUPAC name of N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide (CID 91023793) is N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide.
What is the SMILES notation for N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
The canonical SMILES for N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide is CC(=O)NC1C[C@@H]2CC[C@H]1O2.
What is the InChIKey of N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
The InChIKey is PLFWDFQLVCSKGG-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(10)9-7-4-6-2-3-8(7)11-6/h6-8H,2-4H2,1H3,(H,9,10)/t6-,7?,8+/m0/s1.
What are the key properties of N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide is sourced from PubChem (CID 91023793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).