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

C8H15NO2 — CID 59701885

IUPAC(1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOCCN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C8H15NO2/c1-10-3-2-9-5-8-4-7(9)6-11-8/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyYILNDVSAHNSHQS-YUMQZZPRSA-N
MW157.21 g/mol
LogP0.11
Rot. Bonds3

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

(1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 59701885) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID59701885
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOCCN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C8H15NO2/c1-10-3-2-9-5-8-4-7(9)6-11-8/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyYILNDVSAHNSHQS-YUMQZZPRSA-N
XLogP0.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 59701885) is (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is COCCN1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YILNDVSAHNSHQS-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO2/c1-10-3-2-9-5-8-4-7(9)6-11-8/h7-8H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 157.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-(2-methoxyethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 59701885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).