(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one

C14H23NO2 — CID 132528243

IUPAC(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
SMILESC[C@@]12C[C@@H]1OCCCN(C1CCCCC1)C2=O
InChIInChI=1S/C14H23NO2/c1-14-10-12(14)17-9-5-8-15(13(14)16)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3/t12-,14+/m0/s1
InChIKeyBNWLQZPCZCCZJK-GXTWGEPZSA-N
MW237.34 g/mol
LogP2.35
Rot. Bonds1

About (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one

(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one (PubChem CID 132528243) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one.

Molecular Properties

Compound Name(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
PubChem CID132528243
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
SMILESC[C@@]12C[C@@H]1OCCCN(C1CCCCC1)C2=O
InChIInChI=1S/C14H23NO2/c1-14-10-12(14)17-9-5-8-15(13(14)16)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3/t12-,14+/m0/s1
InChIKeyBNWLQZPCZCCZJK-GXTWGEPZSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
The IUPAC name of (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one (CID 132528243) is (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one.
What is the SMILES notation for (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
The canonical SMILES for (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one is C[C@@]12C[C@@H]1OCCCN(C1CCCCC1)C2=O.
What is the InChIKey of (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
The InChIKey is BNWLQZPCZCCZJK-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14-10-12(14)17-9-5-8-15(13(14)16)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3/t12-,14+/m0/s1.
What are the key properties of (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one has a molecular weight of 237.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one is sourced from PubChem (CID 132528243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).