2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide

C8H13NO2 — CID 140547775

IUPAC2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide
SMILESNC(=O)CC1OC2CCC1C2
InChIInChI=1S/C8H13NO2/c9-8(10)4-7-5-1-2-6(3-5)11-7/h5-7H,1-4H2,(H2,9,10)
InChIKeyZYWJBOHDGHDDPM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds2

About 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide

2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide (PubChem CID 140547775) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide
PubChem CID140547775
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide
SMILESNC(=O)CC1OC2CCC1C2
InChIInChI=1S/C8H13NO2/c9-8(10)4-7-5-1-2-6(3-5)11-7/h5-7H,1-4H2,(H2,9,10)
InChIKeyZYWJBOHDGHDDPM-UHFFFAOYSA-N
XLogP0.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,3R)-3-methyloxepan-2-yl]acetamide
CID 121479434
2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide
CID 166963780
2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide
CID 139724792
2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid
CID 107439048
2-(dioxolan-4-yl)acetamide
CID 87931797
2-cyclodecylacetamide
CID 150110792
2-[(1S,2R)-2-methylcyclopropyl]acetamide
CID 93476800
(2R)-4-amino-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107828479
2-[2-(2-oxoethyl)cyclohexyl]acetamide
CID 87760374
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
methyl 2-methylbutanoate;3-oxatricyclo[3.2.1.02,4]octane
CID 90693172
2-(3-methylcyclobutyl)acetamide
CID 145484105

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide?
The IUPAC name of 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide (CID 140547775) is 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide.
What is the SMILES notation for 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide?
The canonical SMILES for 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide is NC(=O)CC1OC2CCC1C2.
What is the InChIKey of 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide?
The InChIKey is ZYWJBOHDGHDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8(10)4-7-5-1-2-6(3-5)11-7/h5-7H,1-4H2,(H2,9,10).
What are the key properties of 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide?
2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide is sourced from PubChem (CID 140547775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).