(6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one

C8H13NO2 — CID 162411587

IUPAC(6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
SMILESCC[C@]1(C)[C@H]2CCOC(=O)N21
InChIInChI=1S/C8H13NO2/c1-3-8(2)6-4-5-11-7(10)9(6)8/h6H,3-5H2,1-2H3/t6-,8-,9?/m1/s1
InChIKeyLHFPYFZHZOBOCD-GLXOAHRXSA-N
MW155.20 g/mol
LogP1.38
Rot. Bonds1

About (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one

(6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one (PubChem CID 162411587) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name(6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
PubChem CID162411587
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
SMILESCC[C@]1(C)[C@H]2CCOC(=O)N21
InChIInChI=1S/C8H13NO2/c1-3-8(2)6-4-5-11-7(10)9(6)8/h6H,3-5H2,1-2H3/t6-,8-,9?/m1/s1
InChIKeyLHFPYFZHZOBOCD-GLXOAHRXSA-N
XLogP1.38
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
The IUPAC name of (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one (CID 162411587) is (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
The canonical SMILES for (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one is CC[C@]1(C)[C@H]2CCOC(=O)N21.
What is the InChIKey of (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
The InChIKey is LHFPYFZHZOBOCD-GLXOAHRXSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8(2)6-4-5-11-7(10)9(6)8/h6H,3-5H2,1-2H3/t6-,8-,9?/m1/s1.
What are the key properties of (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
(6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-ethyl-7-methyl-3-oxa-1-azabicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 162411587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).