2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one

C14H23NO — CID 4086475

IUPAC2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one
SMILESO=C1CCCCC1/C1=N/CCCCCCC1
InChIInChI=1S/C14H23NO/c16-14-10-6-5-8-12(14)13-9-4-2-1-3-7-11-15-13/h12H,1-11H2/b15-13+
InChIKeyMSEJRTWMABOMBB-FYWRMAATSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds1

About 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one

2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one (PubChem CID 4086475) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one
PubChem CID4086475
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one
SMILESO=C1CCCCC1/C1=N/CCCCCCC1
InChIInChI=1S/C14H23NO/c16-14-10-6-5-8-12(14)13-9-4-2-1-3-7-11-15-13/h12H,1-11H2/b15-13+
InChIKeyMSEJRTWMABOMBB-FYWRMAATSA-N
XLogP3.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one?
The IUPAC name of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one (CID 4086475) is 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one?
The canonical SMILES for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one is O=C1CCCCC1/C1=N/CCCCCCC1.
What is the InChIKey of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one?
The InChIKey is MSEJRTWMABOMBB-FYWRMAATSA-N. The full InChI is InChI=1S/C14H23NO/c16-14-10-6-5-8-12(14)13-9-4-2-1-3-7-11-15-13/h12H,1-11H2/b15-13+.
What are the key properties of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one?
2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one has a molecular weight of 221.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclohexan-1-one is sourced from PubChem (CID 4086475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).