(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane

C7H13NO — CID 166686594

IUPAC(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane
SMILESCCN1C[C@@H]2OCCC21
InChIInChI=1S/C7H13NO/c1-2-8-5-7-6(8)3-4-9-7/h6-7H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyCZYHWRFHKYIBDV-MLWJPKLSSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds1

About (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane

(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane (PubChem CID 166686594) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane
PubChem CID166686594
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane
SMILESCCN1C[C@@H]2OCCC21
InChIInChI=1S/C7H13NO/c1-2-8-5-7-6(8)3-4-9-7/h6-7H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyCZYHWRFHKYIBDV-MLWJPKLSSA-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 (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane?
The IUPAC name of (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane (CID 166686594) is (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane is CCN1C[C@@H]2OCCC21.
What is the InChIKey of (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane?
The InChIKey is CZYHWRFHKYIBDV-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8-5-7-6(8)3-4-9-7/h6-7H,2-5H2,1H3/t6?,7-/m0/s1.
What are the key properties of (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane?
(1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]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 (1S)-6-ethyl-2-oxa-6-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 166686594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).