N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C10H16N2O3 — CID 59468287

IUPACN-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCC(=O)NC1C2CCC(O2)C1NC(C)=O
InChIInChI=1S/C10H16N2O3/c1-5(13)11-9-7-3-4-8(15-7)10(9)12-6(2)14/h7-10H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyPLSGKQCCQDKISE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds2

About N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 59468287) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID59468287
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCC(=O)NC1C2CCC(O2)C1NC(C)=O
InChIInChI=1S/C10H16N2O3/c1-5(13)11-9-7-3-4-8(15-7)10(9)12-6(2)14/h7-10H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyPLSGKQCCQDKISE-UHFFFAOYSA-N
XLogP-0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 59468287) is N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is CC(=O)NC1C2CCC(O2)C1NC(C)=O.
What is the InChIKey of N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is PLSGKQCCQDKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(13)11-9-7-3-4-8(15-7)10(9)12-6(2)14/h7-10H,3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 59468287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).