1-cycloheptyl-1,4-diazocan-5-one

C13H24N2O — CID 117015433

IUPAC1-cycloheptyl-1,4-diazocan-5-one
SMILESO=C1CCCN(C2CCCCCC2)CCN1
InChIInChI=1S/C13H24N2O/c16-13-8-5-10-15(11-9-14-13)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,14,16)
InChIKeyGWLCRPNHOKIEGA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds1

About 1-cycloheptyl-1,4-diazocan-5-one

1-cycloheptyl-1,4-diazocan-5-one (PubChem CID 117015433) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cycloheptyl-1,4-diazocan-5-one.

Molecular Properties

Compound Name1-cycloheptyl-1,4-diazocan-5-one
PubChem CID117015433
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cycloheptyl-1,4-diazocan-5-one
SMILESO=C1CCCN(C2CCCCCC2)CCN1
InChIInChI=1S/C13H24N2O/c16-13-8-5-10-15(11-9-14-13)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,14,16)
InChIKeyGWLCRPNHOKIEGA-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1,4-diazocan-5-one?
The IUPAC name of 1-cycloheptyl-1,4-diazocan-5-one (CID 117015433) is 1-cycloheptyl-1,4-diazocan-5-one.
What is the SMILES notation for 1-cycloheptyl-1,4-diazocan-5-one?
The canonical SMILES for 1-cycloheptyl-1,4-diazocan-5-one is O=C1CCCN(C2CCCCCC2)CCN1.
What is the InChIKey of 1-cycloheptyl-1,4-diazocan-5-one?
The InChIKey is GWLCRPNHOKIEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-8-5-10-15(11-9-14-13)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,14,16).
What are the key properties of 1-cycloheptyl-1,4-diazocan-5-one?
1-cycloheptyl-1,4-diazocan-5-one has a molecular weight of 224.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1,4-diazocan-5-one is sourced from PubChem (CID 117015433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).