1,8-diazacyclotetradecane-2,9-dione

C12H22N2O2 — CID 16

IUPAC1,8-diazacyclotetradecane-2,9-dione
SMILESO=C1CCCCCNC(=O)CCCCCN1
InChIInChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
InChIKeyHERSSAVMHCMYSQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.35
Rot. Bonds

About 1,8-diazacyclotetradecane-2,9-dione

1,8-diazacyclotetradecane-2,9-dione (PubChem CID 16) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,8-diazacyclotetradecane-2,9-dione.

Molecular Properties

Compound Name1,8-diazacyclotetradecane-2,9-dione
PubChem CID16
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,8-diazacyclotetradecane-2,9-dione
SMILESO=C1CCCCCNC(=O)CCCCCN1
InChIInChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
InChIKeyHERSSAVMHCMYSQ-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazacyclotetradecane-2,9-dione?
The IUPAC name of 1,8-diazacyclotetradecane-2,9-dione (CID 16) is 1,8-diazacyclotetradecane-2,9-dione.
What is the SMILES notation for 1,8-diazacyclotetradecane-2,9-dione?
The canonical SMILES for 1,8-diazacyclotetradecane-2,9-dione is O=C1CCCCCNC(=O)CCCCCN1.
What is the InChIKey of 1,8-diazacyclotetradecane-2,9-dione?
The InChIKey is HERSSAVMHCMYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15).
What are the key properties of 1,8-diazacyclotetradecane-2,9-dione?
1,8-diazacyclotetradecane-2,9-dione has a molecular weight of 226.32 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazacyclotetradecane-2,9-dione is sourced from PubChem (CID 16), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).