(1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one

C13H21NO2 — CID 132528242

IUPAC(1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one
SMILESC[C@@]12C[C@@H]1OCCN(C1CCCCC1)C2=O
InChIInChI=1S/C13H21NO2/c1-13-9-11(13)16-8-7-14(12(13)15)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-,13+/m0/s1
InChIKeyWOXVHUJUJYQQDZ-WCQYABFASA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds1

About (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one

(1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one (PubChem CID 132528242) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one.

Molecular Properties

Compound Name(1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one
PubChem CID132528242
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one
SMILESC[C@@]12C[C@@H]1OCCN(C1CCCCC1)C2=O
InChIInChI=1S/C13H21NO2/c1-13-9-11(13)16-8-7-14(12(13)15)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-,13+/m0/s1
InChIKeyWOXVHUJUJYQQDZ-WCQYABFASA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one?
The IUPAC name of (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one (CID 132528242) is (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one.
What is the SMILES notation for (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one?
The canonical SMILES for (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one is C[C@@]12C[C@@H]1OCCN(C1CCCCC1)C2=O.
What is the InChIKey of (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one?
The InChIKey is WOXVHUJUJYQQDZ-WCQYABFASA-N. The full InChI is InChI=1S/C13H21NO2/c1-13-9-11(13)16-8-7-14(12(13)15)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-,13+/m0/s1.
What are the key properties of (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one?
(1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-5-cyclohexyl-7-methyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one is sourced from PubChem (CID 132528242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).