1-cyclohexyl-1-azaspiro[3.5]nonan-2-one

C14H23NO — CID 134968999

IUPAC1-cyclohexyl-1-azaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCCCC2)N1C1CCCCC1
InChIInChI=1S/C14H23NO/c16-13-11-14(9-5-2-6-10-14)15(13)12-7-3-1-4-8-12/h12H,1-11H2
InChIKeyYLXXXHKVBZTRIB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.25
Rot. Bonds1

About 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one

1-cyclohexyl-1-azaspiro[3.5]nonan-2-one (PubChem CID 134968999) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-azaspiro[3.5]nonan-2-one
PubChem CID134968999
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-cyclohexyl-1-azaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCCCC2)N1C1CCCCC1
InChIInChI=1S/C14H23NO/c16-13-11-14(9-5-2-6-10-14)15(13)12-7-3-1-4-8-12/h12H,1-11H2
InChIKeyYLXXXHKVBZTRIB-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one (CID 134968999) is 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one is O=C1CC2(CCCCC2)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is YLXXXHKVBZTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-13-11-14(9-5-2-6-10-14)15(13)12-7-3-1-4-8-12/h12H,1-11H2.
What are the key properties of 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one?
1-cyclohexyl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 134968999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).