N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide

C11H18N2O2 — CID 62739949

IUPACN-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c1-8(14)12-4-5-13-9-2-3-10(13)7-11(15)6-9/h9-10H,2-7H2,1H3,(H,12,14)
InChIKeyVQOKKBYASNLCKE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds3

About N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide

N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide (PubChem CID 62739949) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide
PubChem CID62739949
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c1-8(14)12-4-5-13-9-2-3-10(13)7-11(15)6-9/h9-10H,2-7H2,1H3,(H,12,14)
InChIKeyVQOKKBYASNLCKE-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide (CID 62739949) is N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide is CC(=O)NCCN1C2CCC1CC(=O)C2.
What is the InChIKey of N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide?
The InChIKey is VQOKKBYASNLCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(14)12-4-5-13-9-2-3-10(13)7-11(15)6-9/h9-10H,2-7H2,1H3,(H,12,14).
What are the key properties of N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide?
N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide is sourced from PubChem (CID 62739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).