1,4-diazacyclotetradecan-2-one

C12H24N2O — CID 20610183

IUPAC1,4-diazacyclotetradecan-2-one
SMILESO=C1CNCCCCCCCCCCN1
InChIInChI=1S/C12H24N2O/c15-12-11-13-9-7-5-3-1-2-4-6-8-10-14-12/h13H,1-11H2,(H,14,15)
InChIKeyKJQOFXDRNYHEHC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.83
Rot. Bonds

About 1,4-diazacyclotetradecan-2-one

1,4-diazacyclotetradecan-2-one (PubChem CID 20610183) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,4-diazacyclotetradecan-2-one.

Molecular Properties

Compound Name1,4-diazacyclotetradecan-2-one
PubChem CID20610183
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,4-diazacyclotetradecan-2-one
SMILESO=C1CNCCCCCCCCCCN1
InChIInChI=1S/C12H24N2O/c15-12-11-13-9-7-5-3-1-2-4-6-8-10-14-12/h13H,1-11H2,(H,14,15)
InChIKeyKJQOFXDRNYHEHC-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazacyclotetradecan-2-one?
The IUPAC name of 1,4-diazacyclotetradecan-2-one (CID 20610183) is 1,4-diazacyclotetradecan-2-one.
What is the SMILES notation for 1,4-diazacyclotetradecan-2-one?
The canonical SMILES for 1,4-diazacyclotetradecan-2-one is O=C1CNCCCCCCCCCCN1.
What is the InChIKey of 1,4-diazacyclotetradecan-2-one?
The InChIKey is KJQOFXDRNYHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-12-11-13-9-7-5-3-1-2-4-6-8-10-14-12/h13H,1-11H2,(H,14,15).
What are the key properties of 1,4-diazacyclotetradecan-2-one?
1,4-diazacyclotetradecan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazacyclotetradecan-2-one is sourced from PubChem (CID 20610183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).