1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione

C12H18N2O2 — CID 71835280

IUPAC1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
SMILESO=C1C2CCCCN2C(=O)C2CCCCN12
InChIInChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2
InChIKeyDVUOUKHMQDFLFQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.76
Rot. Bonds

About 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione

1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione (PubChem CID 71835280) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione.

Molecular Properties

Compound Name1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
PubChem CID71835280
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
SMILESO=C1C2CCCCN2C(=O)C2CCCCN12
InChIInChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2
InChIKeyDVUOUKHMQDFLFQ-UHFFFAOYSA-N
XLogP0.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
The IUPAC name of 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione (CID 71835280) is 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione.
What is the SMILES notation for 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
The canonical SMILES for 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione is O=C1C2CCCCN2C(=O)C2CCCCN12.
What is the InChIKey of 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
The InChIKey is DVUOUKHMQDFLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2.
What are the key properties of 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione has a molecular weight of 222.29 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione is sourced from PubChem (CID 71835280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).