2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one

C13H22N2O2 — CID 146627422

IUPAC2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCC1CC2CCC(C1)N2
InChIInChI=1S/C13H22N2O2/c16-13-5-7-17-15(13)6-1-2-10-8-11-3-4-12(9-10)14-11/h10-12,14H,1-9H2
InChIKeyVKFVROUURDOUSS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds4

About 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one

2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one (PubChem CID 146627422) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one
PubChem CID146627422
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCC1CC2CCC(C1)N2
InChIInChI=1S/C13H22N2O2/c16-13-5-7-17-15(13)6-1-2-10-8-11-3-4-12(9-10)14-11/h10-12,14H,1-9H2
InChIKeyVKFVROUURDOUSS-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one (CID 146627422) is 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one is O=C1CCON1CCCC1CC2CCC(C1)N2.
What is the InChIKey of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one?
The InChIKey is VKFVROUURDOUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13-5-7-17-15(13)6-1-2-10-8-11-3-4-12(9-10)14-11/h10-12,14H,1-9H2.
What are the key properties of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one?
2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one has a molecular weight of 238.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 146627422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).