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

C14H25NO2 — CID 132528244

IUPAC(1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
SMILESCCCCCCN1CCCO[C@H]2C[C@@]2(C)C1=O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-8-15-9-7-10-17-12-11-14(12,2)13(15)16/h12H,3-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyJMNDBOXYHCHPOS-GXTWGEPZSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds5

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

(1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one (PubChem CID 132528244) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one.

Molecular Properties

Compound Name(1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
PubChem CID132528244
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
SMILESCCCCCCN1CCCO[C@H]2C[C@@]2(C)C1=O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-8-15-9-7-10-17-12-11-14(12,2)13(15)16/h12H,3-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyJMNDBOXYHCHPOS-GXTWGEPZSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
The IUPAC name of (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one (CID 132528244) is (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one.
What is the SMILES notation for (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
The canonical SMILES for (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one is CCCCCCN1CCCO[C@H]2C[C@@]2(C)C1=O.
What is the InChIKey of (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
The InChIKey is JMNDBOXYHCHPOS-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-5-6-8-15-9-7-10-17-12-11-14(12,2)13(15)16/h12H,3-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one?
(1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one has a molecular weight of 239.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-6-hexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one is sourced from PubChem (CID 132528244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).