(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane

C6H11NO — CID 58679841

IUPAC(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C6H11NO/c1-7-3-6-2-5(7)4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyJMGQDYJFBQGUDC-WDSKDSINSA-N
MW113.16 g/mol
LogP0.09
Rot. Bonds

About (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane

(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 58679841) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID58679841
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C6H11NO/c1-7-3-6-2-5(7)4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyJMGQDYJFBQGUDC-WDSKDSINSA-N
XLogP0.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 58679841) is (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is JMGQDYJFBQGUDC-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-3-6-2-5(7)4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 113.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 58679841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).