2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione

C14H22N2O2 — CID 167951497

IUPAC2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
SMILESCN1C(=O)C2CCC2C(=O)N(C)C2CCCCC21
InChIInChI=1S/C14H22N2O2/c1-15-11-5-3-4-6-12(11)16(2)14(18)10-8-7-9(10)13(15)17/h9-12H,3-8H2,1-2H3
InChIKeyOZURTIAKFHOFFT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.25
Rot. Bonds

About 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione

2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione (PubChem CID 167951497) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione.

Molecular Properties

Compound Name2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
PubChem CID167951497
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
SMILESCN1C(=O)C2CCC2C(=O)N(C)C2CCCCC21
InChIInChI=1S/C14H22N2O2/c1-15-11-5-3-4-6-12(11)16(2)14(18)10-8-7-9(10)13(15)17/h9-12H,3-8H2,1-2H3
InChIKeyOZURTIAKFHOFFT-UHFFFAOYSA-N
XLogP1.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione?
The IUPAC name of 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione (CID 167951497) is 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione.
What is the SMILES notation for 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione?
The canonical SMILES for 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione is CN1C(=O)C2CCC2C(=O)N(C)C2CCCCC21.
What is the InChIKey of 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione?
The InChIKey is OZURTIAKFHOFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-11-5-3-4-6-12(11)16(2)14(18)10-8-7-9(10)13(15)17/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione?
2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione has a molecular weight of 250.34 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione is sourced from PubChem (CID 167951497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).