(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane

C7H13NO — CID 70644632

IUPAC(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCN1C[C@H]2C[C@@H]1CO2
InChIInChI=1S/C7H13NO/c1-2-8-4-7-3-6(8)5-9-7/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyBWXZENJUARLHCJ-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds1

About (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 70644632) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID70644632
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCN1C[C@H]2C[C@@H]1CO2
InChIInChI=1S/C7H13NO/c1-2-8-4-7-3-6(8)5-9-7/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyBWXZENJUARLHCJ-RNFRBKRXSA-N
XLogP0.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 70644632) is (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane is CCN1C[C@H]2C[C@@H]1CO2.
What is the InChIKey of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is BWXZENJUARLHCJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8-4-7-3-6(8)5-9-7/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 127.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 70644632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).