(4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one

C14H23NO2 — CID 149258247

IUPAC(4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one
SMILESCN1C(=O)OC2(CCCC2)[C@@H]1C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-15-12(11-7-3-2-4-8-11)14(17-13(15)16)9-5-6-10-14/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyXOSXWQHWBLPACL-LBPRGKRZSA-N
MW237.34 g/mol
LogP3.33
Rot. Bonds1

About (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one

(4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one (PubChem CID 149258247) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one
PubChem CID149258247
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one
SMILESCN1C(=O)OC2(CCCC2)[C@@H]1C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-15-12(11-7-3-2-4-8-11)14(17-13(15)16)9-5-6-10-14/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyXOSXWQHWBLPACL-LBPRGKRZSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
The IUPAC name of (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one (CID 149258247) is (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
The canonical SMILES for (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one is CN1C(=O)OC2(CCCC2)[C@@H]1C1CCCCC1.
What is the InChIKey of (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
The InChIKey is XOSXWQHWBLPACL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15-12(11-7-3-2-4-8-11)14(17-13(15)16)9-5-6-10-14/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
(4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one has a molecular weight of 237.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclohexyl-3-methyl-1-oxa-3-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 149258247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).